SCHEMBL18138029

SCHEMBL18138029

CCCN(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ OPRM1 P35372 1/20 0.49
▸ OPRL1 P41146 1/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL12124996 0.87 HTR2A (0.51) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL16559754 0.85 SIGMAR1 (0.40) MEN1KMT2AKDM4EALDH1A1HTR2A
SCHEMBL4238520 0.83 MEN1 (0.63) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL18714753 0.83 PRMT1 (0.60) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL4243270 0.81 HTR2A (0.56) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL15308483 0.80 PYCR1 (0.60) KDM4EALDH1A1LMNASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL8390076 0.80 IDO1 (0.54) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL23374664 0.79 SLC6A4 (0.59) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL2422764 0.79 OPRM1 (0.48) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL11231510 0.79 MEN1 (0.58) MEN1KMT2AOPRM1OPRL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC MEN1 2231/4885KMT2A 1919/4885KDM4E 2405/4885

“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.

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