SCHEMBL16751978

SCHEMBL16751978

CCCC(C#N)c1ccc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
DGAT1 O75907 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7294325 0.78 CCR1 (0.45) ALDH1A1GAACYP3A4SLC6A2SLC6A4
SCHEMBL18897125 0.76 DGAT1 (0.38) ALDH1A1DGAT1CYP3A4CYP2D6SLC6A2
SCHEMBL16460889 0.75 P2RX7 (0.35)
SCHEMBL11900194 0.75 CYP3A4 (0.41) ALDH1A1DGAT1CYP3A4CYP2D6SLC6A2
SCHEMBL3962576 0.74 RPS6KB1 (0.39) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL30778456 0.74 ALDH1A1 (0.39) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL3077972 0.74 ALDH1A1 (0.39) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL19592346 0.74 CYP3A4 (0.32) DGAT1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL27936112 0.74 ALOX5AP (0.37) ALDH1A1
SCHEMBL2655618 0.73 HSP90AB1 (0.39) ALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US disclosed
US-9951017-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-04-24 US disclosed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 EP disclosed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US disclosed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 WO disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP disclosed
CN-103261193-A Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INT 2013-08-21 CN 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 (5 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-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885GAA 3337/4885DGAT1 1475/4885
US-20160297762-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885GAA 3337/4885DGAT1 1475/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885GAA 3337/4885DGAT1 1475/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885GAA 3337/4885DGAT1 1475/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885GAA 3337/4885DGAT1 1475/4885

“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.