SCHEMBL6450241

SCHEMBL6450241

CC(c1ccc(-c2ccc(-c3ccccc3CO)cc2)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
MC4R P32245 2/20 0.41
LTA4H P09960 1/20 0.40
BMPR1B O00238 1/20 0.40
ACVR2A P27037 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
TGFBR2 P37173 1/20 0.40
ACVR1 Q04771 1/20 0.40
ACVR2B Q13705 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL6447434 0.85 CYP2D6 (0.41) CYP2D6CHRM2CHRM1MC4RBMPR1B
SCHEMBL5553101 0.80 SLC6A2 (0.48) CYP2D6CHRM2CHRM1MC4RLTA4H
SCHEMBL4432416 0.76 KMT2A (0.47) CYP2D6ALDH1A1DHODH
SCHEMBL5549959 0.76 PRKCI (0.45) CYP2D6CHRM2CHRM1HRH3
SCHEMBL5553936 0.74 SLC6A2 (0.43) CYP2D6CHRM2CHRM1MC4RLTA4H
SCHEMBL5549414 0.74 NPSR1 (0.43) CYP2D6CHRM2CHRM1LTA4HBMPR1B
SCHEMBL24582827 0.74 HRH3 (0.54) ALDH1A1HRH3OPRM1OPRK1DHODH
SCHEMBL5553131 0.73 PDCD1 (0.41) ALDH1A1
SCHEMBL8983562 0.72 CYP2D6 (0.83) CYP2D6CHRM2CHRM1MC4RLTA4H
SCHEMBL8983627 0.72 CYP2D6 (0.83) CYP2D6CHRM2CHRM1MC4RLTA4H

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-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 CYP2D6 941/4885CHRM2 180/4885CHRM1 253/4885

“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.