SCHEMBL6705571

SCHEMBL6705571

O=C(NCCc1ccc(CN2CCCC2)cc1)C1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
MCHR1 Q99705 4/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
HTR2A P28223 1/20 0.57
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.52
LSS P48449 1/20 0.52
GPBAR1 Q8TDU6 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3868658 0.84 CHRM4 (0.66) ALDH1A1MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6226116 0.84 MCHR1 (0.59) ALDH1A1MAPTTSHRHTTMCHR1
SCHEMBL6226331 0.82 MCHR1 (0.54) ALDH1A1MAPTTSHRHTTMCHR1
SCHEMBL3349120 0.82 ALDH1A1 (0.67) ALDH1A1MAPTTSHRHTTCYP2D6
SCHEMBL6705911 0.81 TSHR (0.58) ALDH1A1MAPTTSHRHTTMCHR1
SCHEMBL2796009 0.78 MAPT (0.69) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL6251152 0.77 MCHR1 (0.68) MCHR1CYP2D6CHRM1HTR2AKDM4E
SCHEMBL6092800 0.75 ALDH1A1 (0.54) ALDH1A1MAPTTSHRHTTCYP2D6
SCHEMBL6704575 0.75 MCHR1 (0.62) MCHR1CYP2D6CHRM1HTR2AKDM4E
SCHEMBL6705872 0.75 CHRM4 (0.67) TSHRMCHR1CYP2D6CHRM1HTR2A

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-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 claimed
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 ALDH1A1 3363/4885MAPT 4481/4885TSHR 85/4885

“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.