SCHEMBL18135508

SCHEMBL18135508

Cc1ccc(CN(CCC(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 4/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ PYCR1 P32322 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL15307297 0.84 SLC6A4 (0.40) OPRK1OPRM1PYCR1SLC6A2SLC6A4
SCHEMBL18135500 0.84 TAAR1 (0.39) IDO1CYP1A2CYP2A6TAAR1CNR2
SCHEMBL15307316 0.84 RIPK1 (0.41) OPRK1PYCR1SLC6A2SLC6A4IDO1
SCHEMBL15307291 0.83 ALDH1A1 (0.43) OPRK1OPRM1SLC6A2CYP2C19NPSR1
SCHEMBL15307308 0.81 PYCR1 (0.44) PYCR1SLC6A2SLC6A4IDO1TAAR1
SCHEMBL18135516 0.81 TAAR1 (0.50) PYCR1SLC6A2TAAR1
SCHEMBL15307276 0.80 CYP1A2 (0.37) CYP2C19NPSR1CYP1A2ALDH1A1
SCHEMBL15307307 0.80 CYP2A6 (0.43) SLC6A2SLC6A4CYP2A6ALDH1A1TSHR
SCHEMBL8040655 0.79 PYCR1 (0.40) OPRK1OPRM1PYCR1ADRB2ADRB1
SCHEMBL18135502 0.77 S1PR1 (0.35) PYCR1SLC6A2SLC6A4CYP2C19PSEN1

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 OPRK1 3252/4885OPRM1 3971/4885PYCR1 4057/4885

“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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