SCHEMBL6073581

SCHEMBL6073581

CC1CNC(c2ccccc2)C(N)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
KDM1A O60341 9/20 0.50
MAOA P21397 7/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2B6 P20813 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
HTR2C P28335 2/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2A6 P11509 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 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
SCHEMBL24364998 0.81 GBA1 (0.48) MAOBKDM1AMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL9767964 0.80 GBA1 (0.52) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL6073859 0.80 MAOB (0.44) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL6074284 0.77 MAOB (0.42) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL170789 0.75 MEN1 (0.46) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL19500985 0.75 MEN1 (0.46) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL25645589 0.75 MEN1 (0.46) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL20364476 0.74 GBA1 (0.53) SLC6A2ADRA1ASLC6A3GBA1MEN1
Hydrochloric Acid SCHEMBL26984300 0.73 MEN1 (0.44) MAOBKDM1AMAOALMNATAAR1
SCHEMBL4936439 0.71 SLC18A3 (0.47) MAOBKDM1AMAOACYP2C19CYP2B6

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 MAOB 787/4885KDM1A 621/4885MAOA 775/4885

“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.