SCHEMBL16442332

SCHEMBL16442332

CC(Oc1ccccc1)C(=O)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ HPGD P15428 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ TTR P02766 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PARP1 P09874 2/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL19479111 0.87 HPGD (0.68) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL18129182 0.86 MEN1 (0.54) ALOX15HSD17B10HPGDKMT2A
SCHEMBL29516513 0.86 ALOX15 (0.63) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL16826292 0.85 HPGD (0.52) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL16825812 0.85 ALDH1A1 (0.64) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL16825685 0.85 HPGD (0.52) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL16825740 0.85 ALDH1A1 (0.64) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL16825743 0.85 ALDH1A1 (0.64) ALOX15HSD17B10HPGDALDH1A1KDM4E
SCHEMBL16825683 0.85 HPGD (0.52) ALOX15HSD17B10HPGDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3645077 0.84 HPGD (0.51) ALOX15HSD17B10HPGDALDH1A1KDM4E

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-3292127-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2018-03-14 — — EP disclosed
WO-2016177690-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-10 — — WO disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015013835-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 — — 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC ALOX15 842/4885HSD17B10 1606/4885HPGD 895/4885

“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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