SCHEMBL3716995

SCHEMBL3716995

FC(F)(F)COc1ccc2c(c1)CCCN2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42

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 SCHEMBL3715606 0.99 HRH3 (0.54) HRH3GAAKDM4EMAPTALDH1A1
SCHEMBL10911483 0.80 HRH3 (0.59) HRH3GAAKDM4EMAPTALDH1A1
SCHEMBL3711357 0.80 HRH3 (0.49) HRH3GAAKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6754977 0.79 MAPT (0.49) HRH3GAAKDM4EMAPTALDH1A1
SCHEMBL30205857 0.78 HRH3 (0.48) HRH3ALOX15HSD17B10MAOBGRIN1
SCHEMBL29308781 0.78 TSHR (0.50) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL15818409 0.78 TSHR (0.54) MAPTALDH1A1TP53ALOX15HSD17B10
SCHEMBL6421129 0.78 MAOA (0.64) HRH3MAOAMAOB
SCHEMBL24528931 0.77 HRH3 (0.55) HRH3GAAKDM4EMAPTALDH1A1
SCHEMBL7382847 0.76 HRH3 (0.45) HRH3GAAKDM4EMAPTALDH1A1

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-20100280024-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2010-11-04 US disclosed
EP-2205559-A1 RENIN INHIBITORS Cadila Healthcare Limited (IN) 2010-07-14 EP disclosed
WO-2009087649-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-07-16 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-20100280024-A1 RENIN INHIBITORS REN, ACE, AGTR1 HRH3 2747/4885GAA 107/4885KDM4E 3238/4885

“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.