SCHEMBL13047029

SCHEMBL13047029

Cc1ccc(Cl)c(C(=O)Nc2cccc3c(=O)n(CCN4CCOCC4)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
P2RX7 Q99572 5/20 0.44
SHMT2 P34897 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
USP2 O75604 1/20 0.42
CREBBP Q92793 1/20 0.42
POLB P06746 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL13046927 0.91 POLB (0.45) HTTSHMT2TSHRPOLBTRPV4
SCHEMBL13046920 0.91 HTT (0.52) HTTP2RX7APOBEC3AAPOBEC3GUSP2
SCHEMBL13046926 0.89 KMT2A (0.44) HTTSHMT2MAPK1TSHRPOLB
SCHEMBL13046914 0.88 HTT (0.52) HTTSHMT2MAPK1POLBCNR2
SCHEMBL13046993 0.87 RXFP1 (0.45) HTTSHMT2MAPK1POLBL3MBTL1
SCHEMBL13047030 0.86 HTT (0.48) HTTSHMT2TSHRPOLBTRPV4
SCHEMBL13046976 0.86 HTT (0.50) HTTSHMT2TSHRPOLBTRPV4
SCHEMBL13047039 0.85 SMN1; SMN2 (0.45) HTTP2RX7SHMT2TSHRPOLB
SCHEMBL13046916 0.85 HTT (0.61) HTTP2RX7
SCHEMBL13046936 0.85 ALDH1A1 (0.53) SHMT2TSHRAPOBEC3AAPOBEC3GPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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 (1 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 HTT 4422/4885P2RX7 1/4885SHMT2 1839/4885

“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.