SCHEMBL56346

SCHEMBL56346

[CH2]C(CC(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.43
▸ TRPA1 O75762 5/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CACNA1F O60840 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ MIF P14174 2/20 0.39

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
SCHEMBL19664358 0.86 TAAR1 (0.43) TAAR1TRPA1RIPK1LMNACACNA1F
SCHEMBL9325717 0.84 TRPA1 (0.55) TAAR1TRPA1RIPK1ALDH1A1CACNA1F
SCHEMBL15463452 0.84 POLB (0.44) TAAR1RIPK1ALDH1A1LMNACHRM2
SCHEMBL5572359 0.80 HTR2A (0.46) TAAR1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23795865 0.77 TAAR1 (0.47) TAAR1TRPA1ALDH1A1LMNACACNA1F
SCHEMBL3225501 0.77 CACNA1B (0.37) TRPA1AOC3
SCHEMBL7941668 0.77 TAAR1 (0.42) TAAR1TRPA1ALDH1A1LMNACACNA1F
SCHEMBL9493121 0.77 HRH1 (0.54) TAAR1TRPA1ALDH1A1LMNACACNA1F
SCHEMBL8015411 0.76 TAAR1 (0.39) TAAR1TRPA1ALDH1A1LMNACACNA1F
SCHEMBL9579271 0.75 TRPA1 (0.61) TAAR1TRPA1RIPK1ALDH1A1LMNA

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107141241-A Copper-sulphide ores flotation collector and its preparation method and application 九江学院 2017-09-08 — — CN claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 — — US claimed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 — — EP claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP claimed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — WO claimed
CN-1042226-C Heterocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-24 — — CN claimed
CN-110437046-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2022-08-16 — — CN disclosed
CN-107406584-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2020-06-09 — — CN disclosed
CN-110437046-A Polymer containing fluorine atom and its utilize technical field NISSAN CHEMICAL IND LTD 2019-11-12 — — CN disclosed
CN-106362869-B The application of one kind 1,2,4- triazole -3- thiones flotation collectors 中南大学 2018-10-09 — — CN disclosed
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-01 — — US disclosed
EP-3263622-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME Nissan Chemical Industries, Ltd. (JP) 2018-01-03 — — EP disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 — — US disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 — — EP disclosed
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 — — EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 — — US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 — — CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 — — EP 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 (2 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 TAAR1 199/4885TRPA1 392/4885RIPK1 4447/4885
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME AFF2, AFF1, AFF4 TAAR1 2400/4885TRPA1 3711/4885RIPK1 4415/4885

“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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