SCHEMBL16853587

SCHEMBL16853587

Cc1ccc(OC(C)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.37
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.35
ATM Q13315 1/20 0.35
MAP4K4 O95819 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SLC7A5 Q01650 1/20 0.34

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
SCHEMBL2304950 0.86 KMT2A (0.48) KMT2AMEN1MAPTADRB2SLC7A5
SCHEMBL13019890 0.83 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL2303698 0.82 KMT2A (0.39) KMT2AMEN1CHRNB2CHRNA4CHRNB1
SCHEMBL3866624 0.78 KMT2A (0.38) KMT2AMEN1CHRNB2CHRNA4CHRNB1
SCHEMBL2305233 0.78 KMT2A (0.39) KMT2AMEN1CHRNB2CHRNA4CHRNB1
SCHEMBL4549587 0.77 ALDH1A1 (0.47) KMT2AMEN1CHRNB2CHRNA4CHRNB1
SCHEMBL23559771 0.76 CACNA1I (0.37) SLC7A5
SCHEMBL506299 0.74 CHRNB2 (0.42) KMT2ACHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL3374593 0.74 PPARA (0.54) KMT2AMEN1MAPTMAP4K4SLC22A12
SCHEMBL6381688 0.74 KMT2A (0.42) KMT2AMEN1CHRNB2CHRNA4CHRNB1

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
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 KMT2A 2502/4885MEN1 4665/4885CHRNB2 655/4885

“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.