SCHEMBL18022013

SCHEMBL18022013

CC(C)N1C[C@@H](N)[C@H](c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.52
KDM1A O60341 8/20 0.52
MAOA P21397 7/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2B6 P20813 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2A6 P11509 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL22962229 1.00 MAOB (0.52) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL8037056 0.88 KDM1A (0.51) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL8025619 0.88 KDM1A (0.51) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL14518762 0.86 KDM1A (0.52) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL5186751 0.84 KDM1A (0.53) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL5186744 0.84 KDM1A (0.53) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL5186738 0.84 KDM1A (0.53) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL14213478 0.81 HRH3 (0.49) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL21787710 0.81 HRH3 (0.49) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL14627075 0.81 HRH3 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 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 (2 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-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 MAOB 714/4885KDM1A 4698/4885MAOA 1055/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS MAOB 3723/4885KDM1A 2035/4885MAOA 3512/4885

“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.