SCHEMBL4988050

SCHEMBL4988050

CC(c1c[nH]c2ccccc12)N1CCc2[c]nc(C(N)=O)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
BRD4 O60885 1/20 0.35
POLB P06746 1/20 0.35
CREBBP Q92793 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL4989434 0.81 GRM2 (0.30) PARP1
SCHEMBL4989323 0.78 CYP2D6 (0.46) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL4992453 0.69 KMT2A (0.43) KDM4EALDH1A1L3MBTL1KMT2APOLB
SCHEMBL4989567 0.68 TSHR (0.39) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL4988448 0.67 MEN1 (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL6977811 0.67 GPR84 (0.53) KDM4EMAPTLMNAALDH1A1L3MBTL1
SCHEMBL4985355 0.66 EPHX2 (0.37) ALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL4982815 0.66 MEN1 (0.45) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9456621 0.66 GPR84 (0.54) KDM4EMAPTLMNAALDH1A1L3MBTL1
SCHEMBL4989498 0.66 MAPT (0.39) KDM4EMAPTLMNAALDH1A1KMT2A

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 2 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885MAPT 4477/4885LMNA 1911/4885

“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.