SCHEMBL15037787

SCHEMBL15037787

Fc1ccc(OC(F)F)c([C@H]2CCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 3/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
TACR1 P25103 2/20 0.39
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
HTR1A P08908 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
Hydrochloric Acid SCHEMBL15017476 0.99 MEN1 (0.42) MEN1KMT2AKCNH2CCNT1CDK9
Hydrochloric Acid SCHEMBL15017478 0.99 MEN1 (0.42) MEN1KMT2AKCNH2CCNT1CDK9
SCHEMBL31198369 0.84 TACR1 (0.46) MEN1KMT2AKCNH2TACR1SLC6A2
SCHEMBL16796794 0.84 TACR1 (0.46) MEN1KMT2AKCNH2TACR1SLC6A2
SCHEMBL932979 0.82 MEN1 (0.58) MEN1KMT2AKCNH2CCNT1CDK9
SCHEMBL30741566 0.82 MEN1 (0.58) MEN1KMT2AKCNH2CCNT1CDK9
SCHEMBL20795542 0.82 MEN1 (0.58) MEN1KMT2AKCNH2CCNT1CDK9
SCHEMBL932980 0.82 MEN1 (0.58) MEN1KMT2AKCNH2CCNT1CDK9
Hydrochloric Acid SCHEMBL932548 0.81 MEN1 (0.57) MEN1KMT2AKCNH2CCNT1CDK9
Hydrochloric Acid SCHEMBL932549 0.81 MEN1 (0.57) MEN1KMT2AKCNH2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-9045479-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-02 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 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 (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-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 MEN1 4416/4885KMT2A 3391/4885KCNH2 3521/4885
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 MEN1 4416/4885KMT2A 3391/4885KCNH2 3521/4885

“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.