SCHEMBL10017898

SCHEMBL10017898

CC(C)N1CCC[C@@H](CO)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
TYMP P19971 2/20 0.34
RAB9A P51151 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GHSR Q92847 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1789883 1.00 LIPE (0.39) LIPECCR2KCNH2CYP2D6CYP3A4
SCHEMBL10017897 1.00 LIPE (0.39) LIPECCR2KCNH2CYP2D6CYP3A4
SCHEMBL25124984 0.94 LIPE (0.35) LIPECCR2KCNH2CYP2D6CYP3A4
SCHEMBL2737426 0.88 HRH3 (0.42) LIPEKCNH2HRH3
SCHEMBL2737373 0.88 HRH3 (0.42) LIPEKCNH2HRH3
SCHEMBL9005016 0.88 HRH3 (0.42) LIPEKCNH2HRH3
SCHEMBL7365387 0.86 LIPE (0.38) LIPECYP2D6CYP3A4CYP2C19EPHX2
SCHEMBL12259544 0.85 LIPE (0.37) LIPECYP2D6CYP3A4CYP2C19EPHX2
SCHEMBL4384508 0.85 KCNH2 (0.37) CCR2KCNH2CYP2D6MAPTDRD2
SCHEMBL25124985 0.84 HRH3 (0.47) LIPEKCNH2CYP3A4CYP2C19HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820781-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway NURIX THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-01-26 US disclosed
WO-2023287928-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY NURIX THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
WO-2022256459-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 US disclosed
US-20210198280-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2021-07-01 US disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20120029018-A1 9-SUBSTITUTED PHENANTHRENE BASED TYLOPHORINE DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-02 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX LIPE 1976/4885CCR2 3709/4885KCNH2 3086/4885
US-20210198280-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, CBL, XIAP LIPE 2495/4885CCR2 3643/4885KCNH2 4713/4885
US-11820781-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway BTK, CBL, XIAP LIPE 2495/4885CCR2 3643/4885KCNH2 4713/4885
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK LIPE 2620/4885CCR2 3357/4885KCNH2 4624/4885
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, CBL, XIAP LIPE 2495/4885CCR2 3643/4885KCNH2 4713/4885
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS LIPE 4608/4885CCR2 2987/4885KCNH2 3356/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS LIPE 4428/4885CCR2 2474/4885KCNH2 4497/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS LIPE 4350/4885CCR2 1539/4885KCNH2 4588/4885
US-20120029018-A1 9-SUBSTITUTED PHENANTHRENE BASED TYLOPHORINE DERIVATIVES ABCB1, TYMP, PAH LIPE 4154/4885CCR2 3730/4885KCNH2 3743/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS LIPE 4563/4885CCR2 3366/4885KCNH2 3263/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS LIPE 4428/4885CCR2 2474/4885KCNH2 4497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.