SCHEMBL128640

SCHEMBL128640

[CH2]CCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2A6 P11509 1/20 0.56
SIGMAR1 Q99720 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
SLC6A4 P31645 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC13A5 Q86YT5 1/20 0.44

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
SCHEMBL1306165 0.93 CYP1A2 (0.48) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL128560 0.87 SIGMAR1 (0.59) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL6240981 0.85 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL29560700 0.85 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL133399 0.85 SIGMAR1 (0.58) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL1610345 0.84 SIGMAR1 (0.56) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL129049 0.84 SIGMAR1 (0.56) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL1610472 0.84 SIGMAR1 (0.56) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL27523237 0.82 SIGMAR1 (0.54) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL26213 0.81 CYP1A2 (0.60) CYP1A2CYP2A6SIGMAR1HRH3HTR2A

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 1406 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO claimed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO claimed
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US claimed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US claimed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US claimed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US claimed
US-20190218219-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2019-07-18 US claimed
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO claimed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO claimed
CN-1738829-B New 2',5'-oligoadenylic acid analog SANKYO CO 2012-11-28 CN claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO claimed
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 US claimed
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP claimed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO claimed

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-20190218219-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, IDH3B CYP1A2 110/4885CYP2A6 2086/4885SIGMAR1 1621/4885
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 CYP1A2 180/4885CYP2A6 1322/4885SIGMAR1 2852/4885
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 CYP1A2 328/4885CYP2A6 1765/4885SIGMAR1 3710/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 CYP1A2 328/4885CYP2A6 1765/4885SIGMAR1 3710/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 CYP1A2 180/4885CYP2A6 1322/4885SIGMAR1 2852/4885

“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.