SCHEMBL16742522

SCHEMBL16742522

CC1CN(c2cc[c]c(Cl)n2)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ AOC3 Q16853 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL29218587 0.83 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL2744826 0.76 BTK (0.41) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL3123096 0.76 BTK (0.41) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL20361408 0.73 KMT2A (0.54) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL16741177 0.72 HTR3A (0.56) ALDH1A1KDM4ECYP1A2
SCHEMBL16742945 0.72 CNR2 (0.40) —
SCHEMBL18979724 0.71 KMT2A (0.55) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL5477220 0.71 KMT2A (0.47) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL4178620 0.71 KMT2A (0.47) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL18436950 0.69 KMT2A (0.53) KMT2AALDH1A1KDM4EGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 — — EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 — — US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 — — US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 — — 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-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A KMT2A 579/4885ALDH1A1 405/4885KDM4E 1327/4885

“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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