SCHEMBL835981

SCHEMBL835981

c1ccc(Cc2nc[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CALM1 P0DP23 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AOC3 Q16853 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR6 P50406 1/20 0.39
DAO P14920 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TSHR P16473 2/20 0.38

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 SCHEMBL9382673 0.98 TAAR1 (0.46) TAAR1HRH3CALM1PDE4APDE4B
SCHEMBL30884138 0.89 TAAR1 (0.40) TAAR1HRH3CALM1PDE4APDE4B
SCHEMBL4948276 0.80 DPYD (0.53) MEN1KMT2AALDH1A1
SCHEMBL7427842 0.79 ESR1 (0.50) ALDH1A1
SCHEMBL3915675 0.79 CYP3A4 (0.50) HRH3HTR6TSHRLMNAALDH1A1
SCHEMBL6263797 0.78 TSHR (0.58) HRH3TSHRLMNACYP1A2ALDH1A1
SCHEMBL1571310 0.77 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL31588006 0.77 HTR2C (0.47) TAAR1HTR2CDAO
SCHEMBL28247152 0.77 CYP2D6 (0.46) TAAR1CYP1A2CYP2D6
SCHEMBL28204915 0.77 MAOB (0.43) PARP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716915-A Chemical mechanical polishing solution 安集微电子科技(上海)股份有限公司 2022-07-08 CN claimed
CN-109721586-A A kind of 5- benzyl -3- pyridyl group -1H-1,2,4- triazole class compounds and its preparation method and application 中国医科大学 2019-05-07 CN claimed
CN-103910751-A 1,4-bis(1,2,4-triazol methyl)benzene-copper (II) complex and preparation method HENAN INST ENGINEERING 2014-07-09 CN claimed
EP-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP claimed
US-7217707-B2 Amide of R-2-(aminoaryl)-propionic acid for use in the prevention of leucocyte activation DOMPE S.P.A. (IT) 2007-05-15 US claimed
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-23 US claimed
EP-1276732-A1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ Dompé S.P.A. (IT) 2003-01-22 EP claimed
WO-2001079189-A2 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' Dompé S.p.A. (IT) 2001-10-25 WO claimed
EP-4722199-A1 AZOLE COMPOUND, METHOD FOR SYNTHESIZING SAID AZOLE COMPOUND, AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2026-04-08 EP disclosed
US-20250136559-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2025-05-01 US disclosed
WO-2024247919-A1 AZOLE COMPOUND, METHOD FOR SYNTHESIZING SAID AZOLE COMPOUND, AND USE THEREOF 四国化成工業株式会社 2024-12-05 WO disclosed
CN-113880780-B Benzamidine derivative, preparation method and application 西北农林科技大学 2024-10-11 CN disclosed
US-11680076-B2 Triazole silane compound, method for synthesizing said compound and use thereof SHIKOKU CHEMICALS CORPORATION (JP) 2023-06-20 US disclosed
US-20230158477-A1 ORGANIC FRAME MATERIAL HAVING COBALT-CONTAINING ISOPOLY-MOLYBDIC ACID METAL, METHOD OF MANUFACTURING THE SAME, AND APPLICATION THEREOF Changzhou University (CN) 2023-05-25 US disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-23 US disclosed
EP-1276732-A1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ Dompé S.P.A. (IT) 2003-01-22 EP disclosed
WO-2001079189-A2 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' Dompé S.p.A. (IT) 2001-10-25 WO disclosed
US-5332753-A Thiazole derivatives, their preparation and their use as fungicides SHELL RESEARCH LIMITED (GB) 1994-07-26 US disclosed
US-5095018-A Anticonvulsants BURROUGHS WELLCOME CO. (US) 1992-03-10 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 (3 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-11680076-B2 Triazole silane compound, method for synthesizing said compound and use thereof CYP51A1, TLK2, SIK2 TAAR1 1472/4885HRH3 1086/4885CALM1 4198/4885
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation MMP8, CXCL8, HCAR2 TAAR1 3912/4885HRH3 80/4885CALM1 3872/4885
US-20250136559-A1 SMO MODULATOR COMPOUNDS SMO, SHH, GLI1 TAAR1 316/4885HRH3 561/4885CALM1 774/4885

“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.