SCHEMBL1410138

SCHEMBL1410138

OC1CCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.67
IDH2 P48735 8/20 0.57
ALDH1A1 P00352 3/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR1D P28221 1/20 0.55
HTR2C P28335 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 3/20 0.54
THRB P10828 1/20 0.54
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASR P41180 1/20 0.48

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
SCHEMBL1409363 0.84 DPP4 (0.50) NOTUMIDH2ALDH1A1MAPTLMNA
SCHEMBL1410372 0.84 DPP4 (0.50) NOTUMIDH2ALDH1A1MAPTLMNA
SCHEMBL1409609 0.84 DPP4 (0.50) NOTUMIDH2ALDH1A1MAPTLMNA
SCHEMBL2854862 0.82 NOTUM (0.63) NOTUMIDH2ALDH1A1HTR3EHTR3B
SCHEMBL21624885 0.82 NOTUM (0.63) NOTUMIDH2ALDH1A1HTR3EHTR3B
SCHEMBL1010364 0.81 NOTUM (0.62) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL1410143 0.81 NOTUM (0.63) NOTUMIDH2ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL9312337 0.81 NOTUM (0.61) NOTUMIDH2ALDH1A1HTR3EHTR3B
SCHEMBL25170450 0.80 NOTUM (1.00) NOTUMPOLB
SCHEMBL29957216 0.80 NOTUM (1.00) NOTUMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885IDH2 202/4885ALDH1A1 270/4885

“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.