SCHEMBL2425944

SCHEMBL2425944

COc1cc(F)ccc1CN

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SLC6A2 P23975 14/20 0.45
SLC6A4 P31645 14/20 0.45
SLC6A3 Q01959 14/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
Hydrochloric Acid SCHEMBL2526731 0.98 SLC6A2 (0.44) GAAMAPTTSHRMAPK1HTT
SCHEMBL31119318 0.86 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL2447300 0.86 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL34462888 0.85 TAAR1 (0.61) HTR2AHTR2C
SCHEMBL3717229 0.85 TAAR1 (0.61) HTR2AHTR2C
Hydrochloric Acid SCHEMBL5597852 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL2006793 0.84 ERN1 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL12634568 0.83 APLNR (0.44) GAAMAPTTSHRMAPK1HTT
SCHEMBL8342657 0.82 KDM4E (0.47) GAAMAPTTSHRMAPK1HTT
SCHEMBL1715889 0.81 IDO1 (0.61) GAAMAPTTSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683919-A1 VANIN-1 INHIBITORS Athos Therapeutics, Inc. (US) 2026-01-28 EP disclosed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
US-20250066353-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS INC (US) 2025-02-27 US disclosed
WO-2024196841-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS, INC. (US) 2024-09-26 WO disclosed
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-08-08 US disclosed
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors NOVARTIS AG (CH) 2024-04-30 US disclosed
EP-4349839-A2 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2024-04-10 EP disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US 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 (8 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-20250066353-A1 VANIN-1 INHIBITORS VCAM1, TMBIM6, VNN1 GAA 968/4885MAPT 4534/4885TSHR 4880/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 GAA 2670/4885MAPT 1170/4885TSHR 1728/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885MAPT 981/4885TSHR 3665/4885
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 GAA 1568/4885MAPT 4074/4885TSHR 4819/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 GAA 541/4885MAPT 981/4885TSHR 3665/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 GAA 1568/4885MAPT 4074/4885TSHR 4819/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 GAA 1568/4885MAPT 4074/4885TSHR 4819/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885MAPT 981/4885TSHR 3665/4885

“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.