SCHEMBL4988560

SCHEMBL4988560

[CH2]c1c[nH]c(CCCC)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
GPR84 Q9NQS5 4/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL6356462 0.79
SCHEMBL3840247 0.78 HRH3 (0.42) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL2037718 0.78 HRH3 (0.42) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL9939121 0.77 HRH3 (0.39) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL8434648 0.76 HRH3 (0.46) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL3846855 0.76 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL5446824 0.76 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
Hydrochloric Acid SCHEMBL14743464 0.76 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL10439336 0.76 GPR84 (0.49) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL3841613 0.76 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US disclosed
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 US disclosed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 HRH3 781/4885ALDH1A1 1289/4885MAPK1 1996/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 HRH3 1013/4885ALDH1A1 3640/4885MAPK1 546/4885

“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.