SCHEMBL6706498

SCHEMBL6706498

NCCc1ccc(CN2Cc3ccccc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.48
HTR2A P28223 2/20 0.48
CYP2A6 P11509 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NOS1 P29475 1/20 0.44
BACE1 P56817 1/20 0.43
MAOB P27338 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6705879 0.89 MEN1 (0.63) TAAR1HTR2ASMN1; SMN2MEN1KMT2A
SCHEMBL3160288 0.85 LMNA (0.56) TAAR1MEN1KMT2ANOS1BACE1
SCHEMBL6672942 0.80 SIGMAR1 (0.62) BACE1CYP1A2
Hydrochloric Acid SCHEMBL16713355 0.78 SIGMAR1 (0.60) BACE1CYP1A2
SCHEMBL30052671 0.77 LMNA (0.63) SMN1; SMN2MEN1KMT2ANOS1BACE1
SCHEMBL3240403 0.77 MEN1 (0.46) SMN1; SMN2MEN1KMT2ANOS1BACE1
SCHEMBL17618296 0.76 SIGMAR1 (0.46) TAAR1MEN1KMT2ABACE1CYP2D6
SCHEMBL6708270 0.75 ALDH1A1 (0.62) TAAR1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL1935624 0.75 HRH3 (0.68) SMN1; SMN2CYP2D6CYP2C19
SCHEMBL6221690 0.75 TAAR1 (0.50) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2

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 TAAR1 141/4885HTR2A 56/4885CYP2A6 1696/4885

“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.