Sugi Predict

Sugi Predict / Compounds / SCHEMBL1790495

SCHEMBL1790495

SCHEMBL1790495

C[C]1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ DRD2 P14416 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ MAOA P21397 2/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ TSHR P16473 3/20 0.40
▸ CES1 P23141 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ ACHE P22303 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL16817820 0.83 CYP2A6 (0.52) CYP1A2DRD2DRD1DRD4DRD5
SCHEMBL22081972 0.78 CYP1A2 (0.62) CYP1A2DRD2DRD1DRD4DRD5
SCHEMBL1525601 0.78 — —
SCHEMBL29881712 0.78 — —
SCHEMBL109650 0.78 CYP1A2 (0.62) CYP1A2DRD2DRD1DRD4DRD5
Methylamine SCHEMBL3915422 0.76 — —
Hydrochloric Acid SCHEMBL4314909 0.74 — —
Water SCHEMBL2528680 0.74 — —
SCHEMBL7913483 0.74 CYP1A2 (0.59) CYP1A2DRD2DRD1DRD4DRD5
Ammonia Solution, Strong SCHEMBL656057 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111432851-A Use of volatile ingredients to limit or eliminate perception of malodour 弗门尼舍有限公司 2020-07-17 — — CN claimed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 — — US claimed
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 — — CN claimed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 — — CN claimed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 — — US claimed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — US claimed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 — — CN claimed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 — — EP claimed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 — — EP claimed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO claimed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO claimed
CN-113873884-B Arthropod control composition 弗门尼舍有限公司 2024-06-14 — — CN disclosed
EP-4048397-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THERAPEUTIC APPLICATIONS UNIV MICHIGAN REGENTS (US) 2023-08-16 — — EP disclosed
US-11220479-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-11 — — US disclosed
CN-113873884-A Arthropod control composition 弗门尼舍有限公司 2021-12-31 — — CN disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 — — CN disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 — — EP disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 — — EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — 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 (4 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-11220479-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA CYP1A2 2983/4885DRD2 4841/4885DRD1 4817/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 CYP1A2 2702/4885DRD2 179/4885DRD1 363/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 CYP1A2 2005/4885DRD2 178/4885DRD1 304/4885
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 CYP1A2 1902/4885DRD2 140/4885DRD1 290/4885

“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.