SCHEMBL7445856

SCHEMBL7445856

CCC(=O)NC1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MTNR1A P48039 3/20 0.60
MTNR1B P49286 3/20 0.60
HTT P42858 2/20 0.56
TSHR P16473 2/20 0.56
PDPK1 O15530 1/20 0.56
HPGD P15428 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
EPHX2 P34913 2/20 0.53
TAOK1 Q7L7X3 1/20 0.53
TAOK3 Q9H2K8 1/20 0.53

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
SCHEMBL26779718 1.00 ALDH1A1 (0.61) ALDH1A1MTNR1AMTNR1BHTTTSHR
SCHEMBL17335683 1.00 ALDH1A1 (0.61) ALDH1A1MTNR1AMTNR1BHTTTSHR
SCHEMBL20990440 0.91 ALDH1A1 (0.74) ALDH1A1HTTTSHRHPGDMEN1
SCHEMBL659023 0.91 ALDH1A1 (0.74) ALDH1A1HTTTSHRHPGDMEN1
Hydrochloric Acid SCHEMBL7797522 0.90 ALDH1A1 (0.72) ALDH1A1HTTTSHRHPGDMEN1
SCHEMBL2464640 0.88 ALDH1A1 (0.64) ALDH1A1MTNR1AMTNR1BHTTTSHR
SCHEMBL19115277 0.88 ALDH1A1 (0.64) ALDH1A1MTNR1AMTNR1BHTTTSHR
SCHEMBL21766236 0.87 ALDH1A1 (0.64) ALDH1A1HTTTSHRPDPK1HPGD
SCHEMBL5969797 0.87 ALDH1A1 (0.64) ALDH1A1HTTTSHRPDPK1HPGD
SCHEMBL7154380 0.87 ALDH1A1 (0.64) ALDH1A1HTTTSHRPDPK1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885MTNR1A 238/4885MTNR1B 261/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885MTNR1A 823/4885MTNR1B 815/4885
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB ALDH1A1 385/4885MTNR1A 348/4885MTNR1B 225/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1601/4885MTNR1A 773/4885MTNR1B 747/4885

“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.