SCHEMBL4581793

SCHEMBL4581793

CCOC(=O)C(C)(C)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 4/20 0.42
RORC P51449 1/20 0.40
HSD17B3 P37058 7/20 0.40
STS P08842 1/20 0.39
HTR7 P34969 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL11368826 0.92 CNR2 (0.44) NPC1CNR2RORCHSD17B3F2
SCHEMBL27773420 0.89 L3MBTL1 (0.50) NPC1L3MBTL1HSD17B3STSHTR7
SCHEMBL1502354 0.86 ALDH1A1 (0.43) NPC1L3MBTL1CNR2HSD17B3STS
SCHEMBL1502458 0.84 NPC1 (0.38) NPC1L3MBTL1HSD17B3STSHTR7
SCHEMBL27794719 0.82 NPC1 (0.43) NPC1L3MBTL1HSD17B3STSHTR7
SCHEMBL13525526 0.81 NPC1 (0.42) NPC1L3MBTL1HSD17B3HTR7MAPT
SCHEMBL1502488 0.81 NPC1 (0.42) NPC1L3MBTL1HSD17B3HTR7MAPT
SCHEMBL7038376 0.81 RORC (0.40) NPC1CNR2RORCHSD17B3STS
SCHEMBL24172235 0.80 GSK3B (0.51) NPC1CNR2RORCF2F10
SCHEMBL3671755 0.80 MAPT (0.47) NPC1L3MBTL1HSD17B3STSHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773386-B Chiral bidentate ligand, preparation method and application thereof, and preparation method of catalyst and fexofenadine hydrochloride intermediate 江苏医药职业学院 2023-06-23 CN claimed
CN-114773386-A Chiral bidentate ligand, preparation method and application thereof, and preparation method of catalyst and fexofenadine hydrochloride intermediate 江苏医药职业学院 2022-07-22 CN claimed
CN-103333100-B A kind of synthesis technique of fexofenadine hydrochloride Chizhou Dongsheng Pharmaceutical Co., Ltd. (CN) 2016-04-06 CN claimed
CN-103333100-A Synthetic process of fexofenadine hydrochloride CHIZHOU DONGSHENG PHARMACEUTICAL CO LTD 2013-10-02 CN claimed
CN-115427405-B Tricyclic compounds, preparation method and medical application thereof 合肥医工医药股份有限公司 2024-09-24 CN disclosed
CN-114773386-B Chiral bidentate ligand, preparation method and application thereof, and preparation method of catalyst and fexofenadine hydrochloride intermediate 江苏医药职业学院 2023-06-23 CN disclosed
EP-4177248-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2023-05-10 EP disclosed
EP-4177248-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2023-05-10 EP disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
CN-115427405-A Tricyclic compound, preparation method and medical application thereof 合肥医工医药股份有限公司 2022-12-02 CN disclosed
EP-0703902-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1996-04-03 EP disclosed
WO-1995000482-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1995-01-05 WO disclosed
WO-1989012443-A1 NOVEL DIBENZO-CYCLOHEPTENYL, -CYCLOHEPTYL AND -OXEPINYL AMINES HAVING ANTIHISTAMINIC PROPERTIES FISONS CORPORATION (US) 1989-12-28 WO disclosed
EP-0347123-A2 Dibenzo-cycloheptenyl, -cycloheptyl and -oxepinyl amines having antihistaminic properties FISONS CORPORATION (US) 1989-12-20 EP disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 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 (1 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-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HNMT, CHRM1, HRH4 NPC1 649/4885L3MBTL1 3564/4885CNR2 42/4885

“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.