SCHEMBL6447434

SCHEMBL6447434

CC(c1ccc(-c2ccc(-c3ccccc3)cc2)c(CO)c1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BMPR1B O00238 1/20 0.38
ACVR2A P27037 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
TGFBR2 P37173 1/20 0.38
ACVR1 Q04771 1/20 0.38
ACVR2B Q13705 1/20 0.38
MC4R P32245 3/20 0.38
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6450241 0.85 CYP2D6 (0.45) CYP2D6CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL5549959 0.76 PRKCI (0.45) CYP2D6CHRM2CHRM1ACHEHRH3
SCHEMBL5553101 0.74 SLC6A2 (0.48) CYP2D6CHRM2CHRM1MC4RHRH3
SCHEMBL8983627 0.69 CYP2D6 (0.83) CYP2D6CHRM2CHRM1ALDH1A1MC4R
SCHEMBL7097730 0.69 CYP2D6 (0.83) CYP2D6CHRM2CHRM1ALDH1A1MC4R
SCHEMBL8983562 0.69 CYP2D6 (0.83) CYP2D6CHRM2CHRM1ALDH1A1MC4R
Hydrochloric Acid SCHEMBL9246979 0.69 LMNA (0.49) CYP2D6CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL5553936 0.68 SLC6A2 (0.43) CYP2D6CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL2631769 0.68 CYP2D6 (0.79) CYP2D6CHRM2CHRM1ALDH1A1MC4R
SCHEMBL20191913 0.68 CYP2D6 (0.79) CYP2D6CHRM2CHRM1ALDH1A1MC4R

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-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.