SCHEMBL11947862

SCHEMBL11947862

CC(C)N1CCC2(CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 6/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL13299643 0.87 USP2 (0.43) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9963300 0.87 TSHR (0.46) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10111445 0.85 CYP2D6 (0.46) USP2CYP2C9CYP2C19CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL4713905 0.84 CYP1A2 (0.49) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL7770721 0.83 CYP2D6 (0.45) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL23257570 0.82 CYP1A2 (0.40) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL21216987 0.79 USP2 (0.45) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL18712894 0.79 USP2 (0.45) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10260816 0.79 TSHR (0.51) USP2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL25543323 0.79 USP2 (0.36) USP2CYP2C9CYP2C19CYP1A2CYP2D6

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151557-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-07-18 WO disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
EP-4327809-A2 TYK2 INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-02-28 EP disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-9000172-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-9000172-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
WO-2011089400-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-28 WO disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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 (7 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 USP2 2432/4885CYP2C9 3497/4885CYP2C19 3241/4885
US-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP2C9 2259/4885CYP2C19 2325/4885
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 USP2 4131/4885CYP2C9 1141/4885CYP2C19 785/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 USP2 2822/4885CYP2C9 4732/4885CYP2C19 4596/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 USP2 3286/4885CYP2C9 362/4885CYP2C19 247/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS USP2 1418/4885CYP2C9 2110/4885CYP2C19 1996/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS USP2 1134/4885CYP2C9 4302/4885CYP2C19 4283/4885

“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.