Sugi Predict

Sugi Predict / Compounds / SCHEMBL1011970

SCHEMBL1011970

SCHEMBL1011970

O=[N+]([O-])c1ccc2c(c1)NCC21CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TDP2 O95551 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ CAPN9 O14815 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PNMT P11086 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ SNCA P37840 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL17242437 0.94 MAPT (0.50) MAPTNPC1RAB9ATDP2AKR1B1
SCHEMBL25172680 0.83 MAPT (0.46) MAPTNPC1RAB9ATDP2AKR1B1
SCHEMBL429310 0.82 MAPT (0.57) MAPTNPC1RAB9ATDP2AKR1B1
Hydrochloric Acid SCHEMBL4967505 0.81 MAPT (0.56) MAPTNPC1RAB9ATDP2AKR1B1
SCHEMBL22855674 0.80 CYP3A4 (0.51) MAPTNPC1RAB9ATDP2CAPN9
SCHEMBL20242100 0.78 MAPT (0.44) MAPTNPC1RAB9ATDP2AKR1B1
SCHEMBL397096 0.76 HSPA9 (0.56) MAPTNPC1RAB9ATDP2AKR1B1
SCHEMBL30053511 0.75 PNMT (0.55) TDP2PNMTADRA2A
SCHEMBL1558102 0.75 PNMT (0.55) TDP2PNMTADRA2A
SCHEMBL22855479 0.75 CYP3A4 (0.49) MAPTNPC1RAB9ATDP2CAPN9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507239-B Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2023-07-25 — — CN claimed
CN-114507239-A Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2022-05-17 — — CN claimed
WO-2024172766-A1 PHOTOCURABLE, WATER-SOLUBLE PHOTOCHROMIC RESIN PRE-POLYMER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-08-22 — — WO disclosed
CN-114507239-B Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2023-07-25 — — CN disclosed
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 — — CN disclosed
EP-4077564-A1 ADHESION-PROMOTING COMPOSITIONS CONTAINING ORGANIC TITANATES/ZIRCONATES AND METHODS OF USE PRC-Desoto International, Inc. (US) 2022-10-26 — — EP disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 — — WO disclosed
CN-114507239-A Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2022-05-17 — — CN disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 — — EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 — — EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 — — US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 — — US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 — — US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 — — US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 — — EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 — — US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 — — 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 (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-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAPT 4269/4885NPC1 28/4885RAB9A 2557/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 MAPT 4775/4885NPC1 38/4885RAB9A 1885/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAPT 653/4885NPC1 2387/4885RAB9A 1543/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAPT 755/4885NPC1 2982/4885RAB9A 1356/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAPT 755/4885NPC1 2982/4885RAB9A 1356/4885

“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.