SCHEMBL7098658

SCHEMBL7098658

CCC(C)c1ccc(N(C)C(=N)N2CCc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
NOTUM Q6P988 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6770939 0.78 NPC1 (0.48) POLBSIGMAR1MAPTLMNAMEN1
SCHEMBL6769586 0.73 MEN1 (0.51) POLBSIGMAR1MAPTLMNAMEN1
SCHEMBL4981821 0.73 CYP2C9 (0.44) ALDH1A1TSHRMAPT
SCHEMBL6770940 0.73 SIGMAR1 (0.60) POLBSIGMAR1NOTUMALDH1A1TSHR
Hydrochloric Acid SCHEMBL4984107 0.72 CYP2C9 (0.42) SIGMAR1ALDH1A1TSHRMAPTLMNA
SCHEMBL6769984 0.69 SIGMAR1 (0.55) POLBSIGMAR1NOTUMALDH1A1TSHR
SCHEMBL8335495 0.69 HSD17B3 (0.45) POLBTSHRMAPTLMNAMEN1
SCHEMBL4979723 0.68 CYP2C9 (0.41) ALDH1A1TSHRMAPTLMNA
SCHEMBL6769101 0.67 SIGMAR1 (0.52) SIGMAR1NOTUMALDH1A1TSHRMAPT
SCHEMBL4376794 0.65 POLB (0.69) POLBSIGMAR1NOTUMALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 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 (2 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN POLB 3795/4885SIGMAR1 2813/4885NOTUM 439/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN POLB 3795/4885SIGMAR1 2813/4885NOTUM 439/4885

“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.