SCHEMBL6705763

SCHEMBL6705763

CC(c1ccc(CCNC(=O)O)cc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
TSHR P16473 3/20 0.42
GAA P10253 2/20 0.42
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3222847 0.82 ALDH1A1 (0.40) ALDH1A1TSHRGAAEPHX1POLB
SCHEMBL3872340 0.82 ALDH1A1 (0.58) ALDH1A1CHRM1CYP2D6NPC1RAB9A
SCHEMBL3868712 0.82 MCHR1 (0.55) ALDH1A1HDAC4HDAC1CHRM1CYP2D6
SCHEMBL3869095 0.81 ALDH1A1 (0.49) ALDH1A1HDAC4HDAC1CHRM1POLB
SCHEMBL3870571 0.81 MCHR1 (0.55) ALDH1A1HDAC4HDAC1CHRM1CYP2D6
SCHEMBL3870885 0.81 ALDH1A1 (0.57) ALDH1A1CHRM1CYP2D6NPC1RAB9A
SCHEMBL3870079 0.81 ALDH1A1 (0.57) ALDH1A1CHRM1CYP2D6NPC1RAB9A
SCHEMBL3873969 0.81 MCHR1 (0.55) ALDH1A1HDAC4HDAC1CHRM1CYP2D6
SCHEMBL3870988 0.81 TAAR1 (0.44) ALDH1A1HDAC4HDAC1TSHRCHRM2
SCHEMBL3868850 0.80 NPC1 (0.48) ALDH1A1HDAC4HDAC1CHRM1CYP2D6

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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R OPRM1 49/4885OPRD1 46/4885OPRK1 37/4885

“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.