SCHEMBL13601738

SCHEMBL13601738

CCOC(=O)[C@H]1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.49
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11490824 1.00 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4EMEN1
SCHEMBL11490823 1.00 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4EMEN1
SCHEMBL24846753 0.95 FKBP1A (0.55) FKBP1AALDH1A1MAPTKDM4EMEN1
SCHEMBL652160 0.95 FKBP1A (0.55) FKBP1AALDH1A1MAPTKDM4EMEN1
SCHEMBL19576693 0.86 FKBP1A (0.51) FKBP1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL13601739 0.86 PPM1B (0.41) FKBP1ACYP3A4CYP2D6
SCHEMBL13601762 0.86 PPM1B (0.41) FKBP1ACYP3A4CYP2D6
SCHEMBL29142204 0.85 CYP3A4 (0.39) FKBP1AALDH1A1CYP3A4CYP2D6
SCHEMBL7262161 0.84 FKBP1A (0.46) FKBP1A
SCHEMBL14645015 0.84 CYP3A4 (0.38) FKBP1ACYP3A4CYP2D6

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 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 (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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 FKBP1A 932/4885ALDH1A1 3333/4885MAPT 1807/4885

“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.