SCHEMBL6865248

SCHEMBL6865248

CC(C)CC(N)C(=O)CN1CCCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.53
CARM1 Q86X55 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
S1PR1 P21453 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
CD274 Q9NZQ7 1/20 0.45
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45

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
Hydrochloric Acid SCHEMBL5848750 0.99 HRH3 (0.52) HRH3CARM1ITGB3ITGA2BS1PR1
SCHEMBL5850375 0.84 CARM1 (0.48) HRH3CARM1ITGB3ITGA2BNPC1
SCHEMBL5848751 0.83 CARM1 (0.47) HRH3CARM1ITGB3ITGA2BS1PR1
SCHEMBL6866285 0.82 DRD1 (0.42) HRH3OPRM1OPRD1OPRK1
SCHEMBL6866937 0.82 ELANE (0.48) HRH3CARM1L3MBTL1POLB
SCHEMBL5849150 0.82 ACACB (0.46) HRH3CARM1
SCHEMBL5849089 0.82 CARM1 (0.46) HRH3CARM1ITGB3ITGA2BS1PR1
SCHEMBL5848294 0.82 CTSS (0.51) CARM1
Hydrochloric Acid SCHEMBL5848992 0.81 DRD1 (0.41) HRH3OPRM1OPRD1OPRK1
SCHEMBL5848753 0.81 CARM1 (0.45) HRH3CARM1ITGB3ITGA2BS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US claimed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 HRH3 930/4885CARM1 2020/4885ITGB3 4437/4885

“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.