SCHEMBL20804350

SCHEMBL20804350

N#Cc1ccccc1CN1CCN(Cc2ccccc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.53
CYP19A1 P11511 1/20 0.53
MPO P05164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TACR1 P25103 2/20 0.51
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
CHRM1 P11229 1/20 0.48
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL28024574 1.00 COMT (0.53) COMTCYP19A1MPOALDH1A1MAPT
SCHEMBL20237949 0.92 CYP19A1 (0.50) COMTCYP19A1MPOALDH1A1MAPT
SCHEMBL2229998 0.92 ALDH1A1 (0.53) COMTCYP19A1MPOALDH1A1MAPT
SCHEMBL20328137 0.91 COMT (0.48) COMTCYP19A1MPOALDH1A1MAPT
SCHEMBL22642414 0.91 COMT (0.48) COMTCYP19A1MPOALDH1A1MAPT
SCHEMBL2228476 0.91 MC4R (0.51) COMTCYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20381979 0.91 KMT2A (0.60) COMTCYP19A1MPOALDH1A1MAPT
SCHEMBL2229808 0.91 ALDH1A1 (0.56) COMTCYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL519226 0.91 ALDH1A1 (0.56) COMTCYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27896878 0.88 COMT (0.46) COMTCYP19A1MPOALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 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 (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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 COMT 3940/4885CYP19A1 4632/4885MPO 3469/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 COMT 3940/4885CYP19A1 4632/4885MPO 3469/4885

“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.