SCHEMBL104625

SCHEMBL104625

CC(C)CCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
CXCR4 P61073 2/20 0.43
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
RAD52 P43351 1/20 0.37
HTR2C P28335 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
SORT1 Q99523 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
Hydrochloric Acid SCHEMBL25326103 0.98 SMN1; SMN2 (0.43) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL13766675 0.92 CXCR4 (0.57) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL13251374 0.86 CXCR4 (0.50) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL11932527 0.85 CXCR4 (0.52) SMN1; SMN2POLBCXCR4CHRM5CHRM3
Hydrochloric Acid SCHEMBL27423153 0.85 CXCR4 (0.48) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL4715980 0.84 LMNA (0.46) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL22320733 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL9801548 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL21016068 0.83 CXCR4 (0.55) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL14944015 0.83 CXCR4 (0.55) SMN1; SMN2POLBCXCR4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4050005-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-12-25 EP disclosed
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
CN-118660875-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2024-09-17 CN disclosed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
US-12024484-B2 Lipid formulations for gene editing VERVE THERAPEUTICS, INC. (US) 2024-07-02 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2024098053-A1 POLYMER-NUCLEIC ACID NANOPARTICLES FOR GENE EDITING THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 WO disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed
WO-2000050428-A1 PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-08-31 WO disclosed
EP-0366914-B1 3'-Hydroxybenzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI CHEMICAL IND (JP) 1994-11-30 EP disclosed
US-4983602-A ANTI-TUBERCULOSIS AGENT KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-08 US disclosed
EP-0366914-A2 3'-Hydroxybenzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-05-09 EP disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0049683-A2 Imidazo-rifamycines, process for their preparation, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1982-04-14 EP 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 (4 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-12024484-B2 Lipid formulations for gene editing LIPA, LIPC, ABHD16A SMN1; SMN2 2103/4885POLB 1469/4885CXCR4 4478/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK SMN1; SMN2 4577/4885POLB 1934/4885CXCR4 3038/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 SMN1; SMN2 2727/4885POLB 3818/4885CXCR4 2954/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK SMN1; SMN2 4759/4885POLB 2758/4885CXCR4 345/4885

“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.