SCHEMBL3857271

SCHEMBL3857271

CC1CCN(Cc2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3Cl)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 10/20 0.47
TRPV1 Q8NER1 1/20 0.43
UBE2M P61081 8/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACKR3 P25106 1/20 0.41
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
CCR2 P41597 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3859191 0.91 TRPV1 (0.44) DCUN1D1TRPV1UBE2MALDH1A1LMNA
SCHEMBL3857471 0.89 TRPV1 (0.45) DCUN1D1TRPV1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3866316 0.85 TRPV1 (0.41) TRPV1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3863730 0.84 LMNA (0.45) TRPV1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13683425 0.82 KDM4E (0.46) KMT2A
SCHEMBL3866529 0.81 HTR2A (0.44) ALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL3861755 0.80 TRPV1 (0.46) TRPV1POLBPTGDR2
SCHEMBL4009965 0.79 DCUN1D1 (0.47) DCUN1D1UBE2MALDH1A1LMNAMAPT
SCHEMBL4011914 0.79 DCUN1D1 (0.47) DCUN1D1UBE2MALDH1A1LMNAMAPT
SCHEMBL4017743 0.79 ACHE (0.48) DCUN1D1UBE2MALDH1A1LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 DCUN1D1 3160/4885TRPV1 1200/4885UBE2M 4386/4885

“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.