SCHEMBL27405136

SCHEMBL27405136

O=C(c1cncc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.60
CACNA2D1 P54289 2/20 0.54
CACNA1B Q00975 2/20 0.54
CACNB1 Q02641 2/20 0.54
CACNA1C Q13936 2/20 0.54
CACNA1A O00555 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP3A5 P20815 1/20 0.51
ALDH1A1 P00352 3/20 0.50
USP2 O75604 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 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
SCHEMBL31350898 0.94 CYP3A4 (0.61) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31351141 0.85 CACNA2D1 (0.59) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31351077 0.84 MAOB (0.64) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27406350 0.84 MAOB (0.68) MAOBCA12CA1CA2CA7
SCHEMBL31351131 0.83 MAOB (0.66) MAOBCA12CA1CA2CA7
SCHEMBL27405653 0.83 MAOB (0.66) MAOBCA12CA1CA2CA7
SCHEMBL16598663 0.82 MAOB (0.64) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31350822 0.82 MAOB (0.64) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL16598964 0.82 MAOB (0.64) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31350838 0.82 MAOB (0.64) MAOBCACNA2D1CACNA1BCACNB1CACNA1C

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-20250084091-A1 INHIBITORS OF SARS-COV-2 TEXAS A & M UNIV SYS (US) 2025-03-13 US disclosed
WO-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 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-20250084091-A1 INHIBITORS OF SARS-COV-2 ACE2, ACE, TMPRSS2 MAOB 1253/4885CACNA2D1 2331/4885CACNA1B 563/4885

“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.