SCHEMBL4982679

SCHEMBL4982679

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
P2RX7 Q99572 4/20 0.40
EPHX2 P34913 4/20 0.40
ALOX5 P09917 2/20 0.40
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 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
SCHEMBL4988113 0.92 P2RX7 (0.50) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4986137 0.91 TSHR (0.43) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4982547 0.91 TSHR (0.43) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4983637 0.91 P2RX7 (0.47) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4985518 0.91 TSHR (0.41) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4980553 0.91 EPHX2 (0.41) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4988515 0.90 SMN1; SMN2 (0.47) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4988125 0.90 EPHX2 (0.41) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4992332 0.90 P2RX7 (0.41) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL4989721 0.90 MKNK1 (0.40) TSHRALDH1A1P2RX7EPHX2USP2

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
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 claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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 (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 TSHR 2057/4885LMNA 1935/4885SMN1; SMN2 1922/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885LMNA 1911/4885SMN1; SMN2 4369/4885

“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.