SCHEMBL6704675

SCHEMBL6704675

CN(C)Cc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MCHR1 Q99705 5/20 0.56
HTR2A P28223 1/20 0.56
HPGD P15428 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
HTT P42858 2/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6706731 0.83 MCHR1 (0.60) NPC1RAB9AMCHR1HTR2AHTT
SCHEMBL6706763 0.82 MCHR1 (0.72) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL6706726 0.81 MCHR1 (0.71) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL6704624 0.77 NPC1 (0.61) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL6704701 0.77 MCHR1 (0.59) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL6708083 0.76 NPC1 (0.59) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL6706782 0.76 RAB9A (0.49) NPC1RAB9AMCHR1HPGDCYP2C19
SCHEMBL6705556 0.76 NPC1 (0.49) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL6705558 0.76 NPC1 (0.49) NPC1RAB9AMCHR1HTR2AHPGD
SCHEMBL11554301 0.76 NPC1 (0.65) NPC1RAB9AHPGDCYP2C19CYP1A2

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 NPC1 2495/4885RAB9A 2725/4885MCHR1 2/4885

“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.