SCHEMBL21534526

SCHEMBL21534526

COc1ccn2ccc(C(C)C(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
KDM4E B2RXH2 3/20 0.33
HTR2A P28223 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTR2B P41595 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL19240143 0.86 HTR2C (0.37) HTR2CKDM4EHTR2AMEN1MAPT
SCHEMBL17033291 0.72 ACHE (0.39) HTR2CKDM4EHTR2AMEN1MAPT
SCHEMBL19866687 0.71 ALOX15 (0.33) KDM4EALDH1A1HPGDGAA
SCHEMBL17039302 0.68 MAPT (0.39) HTR2CKDM4EHTR2AMEN1MAPT
SCHEMBL19901766 0.67 CYP2D6 (0.44) HTR2AMEN1KMT2ACYP2D6HTT
SCHEMBL22260376 0.67 CA12 (0.54) HTR2AMEN1MAPTKMT2ACYP2D6
SCHEMBL19217960 0.67 CA12 (0.54) HTR2AMEN1MAPTKMT2ACYP2D6
SCHEMBL344208 0.67 KDM4E (0.43) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL26131216 0.67 ALDH1A1 (0.53) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL26127693 0.66 HTT (0.36) HTR2CHTR2AMEN1KMT2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 HTR2C 1114/4885KDM4E 4525/4885HTR2A 1444/4885

“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.