SCHEMBL20804657

SCHEMBL20804657

Fc1ccc(CN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
SIGMAR1 Q99720 2/20 0.49
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
CCR5 P51681 1/20 0.41
MCHR1 Q99705 1/20 0.41
GAA P10253 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL20804481 0.87 MEN1 (0.57) ALDH1A1MEN1KMT2AATM
SCHEMBL20804486 0.86 ALDH1A1 (0.56) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL20804476 0.85 ATM (0.52) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL20804558 0.84 SIGMAR1 (0.59) HTTSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL20804563 0.83 MEN1 (0.58) ALDH1A1MEN1KMT2AATM
SCHEMBL20804489 0.82 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2AATM
SCHEMBL20804484 0.82 KMT2A (0.57) ALDH1A1HTTSIGMAR1OPRM1OPRD1
SCHEMBL26358318 0.82 OPRM1 (0.50) ALDH1A1HTTOPRM1OPRD1OPRK1
SCHEMBL26358315 0.82 LMNA (0.56) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL20804488 0.81 KDM4E (0.53) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1

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 4 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-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 ALDH1A1 4502/4885HTT 1060/4885SIGMAR1 2357/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 ALDH1A1 4502/4885HTT 1060/4885SIGMAR1 2357/4885

“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.