SCHEMBL6073989

SCHEMBL6073989

CC[C@@H]1CC[C@@H](N)[C@H](c2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 8/20 0.37
MAOA P21397 7/20 0.37
KDM1A O60341 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2B6 P20813 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL6073557 1.00 MEN1 (0.44) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6074136 1.00 MEN1 (0.44) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073554 1.00 MEN1 (0.44) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073983 1.00 MEN1 (0.44) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073713 0.87 LMNA (0.41) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073510 0.87 LMNA (0.41) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073340 0.87 LMNA (0.41) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073342 0.87 LMNA (0.41) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6073708 0.87 LMNA (0.41) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL6074607 0.83 MEN1 (0.38) MEN1KMT2ALMNAGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US claimed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP claimed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO claimed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 MEN1 2361/4885KMT2A 1034/4885LMNA 3704/4885

“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.