SCHEMBL3337749

SCHEMBL3337749

CCc1c(F)ccc(C(C)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
MAOA P21397 3/20 0.42
HSD17B1 P14061 1/20 0.37
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 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
SCHEMBL3337887 0.86 ALDH1A1 (0.41) TSHRSMN1; SMN2P2RX7TP53ALDH1A1
SCHEMBL3337815 0.84 CD38 (0.40) TSHRALDH1A1
SCHEMBL15179595 0.81 ABL1 (0.45) TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL7144094 0.79 MAOB (0.44) MAOBMAOACES2CES1SMN1; SMN2
SCHEMBL91338 0.76 P2RX7 (0.37) TSHRSMN1; SMN2P2RX7ALDH1A1ALOX15
SCHEMBL106184 0.76 MAOB (0.42) MAOBMAOACES2CES1SMN1; SMN2
SCHEMBL10290474 0.75 HPGD (0.39) MAOBMAOAHSD17B1TSHRSMN1; SMN2
SCHEMBL20326196 0.75 CYP3A4 (0.39) TSHRSMN1; SMN2MAPTALOX15
SCHEMBL4120436 0.72 TAAR1 (0.36) TSHRSMN1; SMN2P2RX7ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL4220708 0.72 CD38 (0.42) TSHRP2RX7ALDH1A1

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
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 MAOB 1310/4885MAOA 945/4885HSD17B1 233/4885

“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.