SCHEMBL20213832

SCHEMBL20213832

CNCCC(O)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
SLC6A4 P31645 7/20 0.43
SLC6A2 P23975 6/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 4/20 0.43
SLC6A3 Q01959 4/20 0.43
KCNH2 Q12809 4/20 0.43
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ADRA1A P35348 1/20 0.38

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
SCHEMBL26326772 0.83 CYP2D6 (0.49) SLC6A4SLC6A2CYP3A4CYP2D6SLC6A3
SCHEMBL24302770 0.81 ADRA2A (0.40) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL16371920 0.81 CES2 (0.43) TAAR1HRH1CYP3A4ADRA2AADRA2B
SCHEMBL5929612 0.80 HTR2A (0.46) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL19399098 0.80 SLC6A4 (0.48) HTR2AHRH1SLC6A4SLC6A2CYP3A4
SCHEMBL24302602 0.80 TAAR1 (0.43) TAAR1HTR2AHRH1SLC6A4SLC6A2
SCHEMBL1913425 0.79 CES2 (0.42) SLC6A4SLC6A2CYP3A4CYP2D6SLC6A3
SCHEMBL4607597 0.78 CNR2 (0.44) CYP3A4CES2CES1
SCHEMBL6630352 0.78 ALDH1A1 (0.42) SLC6A4SLC6A2CYP3A4CYP2D6SLC6A3
SCHEMBL19399100 0.77 SLC6A4 (0.54) HTR2AHRH1SLC6A4SLC6A2CYP3A4

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
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 US disclosed
US-20220119388-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2022-04-21 US disclosed
US-20200190081-A1 META SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO- PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 US disclosed
EP-3548491-A1 META SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO- PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-09 EP disclosed
WO-2018100041-A1 META SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO- PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2018-06-07 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 (3 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-20220119388-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS RIPK1, RIPK3, RIPK4 TAAR1 3974/4885HTR2A 3472/4885HRH1 3157/4885
US-20200190081-A1 META SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO- PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN TRPV1, TRPV2, CACNG2 TAAR1 785/4885HTR2A 141/4885HRH1 616/4885
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 TAAR1 3974/4885HTR2A 3472/4885HRH1 3157/4885

“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.