SCHEMBL15037828

SCHEMBL15037828

O=C(CCCCl)c1cc(F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
DRD2 P14416 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 6/20 0.40
HTR7 P34969 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
KEAP1 Q14145 1/20 0.37
ACKR3 P25106 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL29127613 1.00 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL29406527 1.00 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL9827785 0.86 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL9115881 0.85 NPC1 (0.46) CES2CES1DRD2NPC1RAB9A
SCHEMBL13588197 0.84 CES2 (0.55) CES2CES1DRD2NPC1RAB9A
SCHEMBL28289421 0.84 CES2 (0.55) CES2CES1DRD2NPC1RAB9A
Ethylene SCHEMBL10996445 0.83 CES2 (0.50) CES2CES1DRD2NPC1RAB9A
SCHEMBL5636039 0.83 KEAP1 (0.54) CES2CES1DRD2NPC1RAB9A
SCHEMBL5078142 0.83 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL31661689 0.83 CES2 (0.53) CES2CES1DRD2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118109434-A Transaminase and its application in synthesizing (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-31 CN claimed
CN-118006577-A Transaminase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-10 CN claimed
CN-117965480-A Recombinant aminotransferase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-03 CN claimed
CN-114075557-B Recombinant aminotransferase and its use in the synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2023-12-22 CN claimed
CN-114075557-A Recombinant transaminase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2022-02-22 CN claimed
EP-4420732-A2 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2024-08-28 EP disclosed
CN-118109434-A Transaminase and its application in synthesizing (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-31 CN disclosed
CN-118109434-A Transaminase and its application in synthesizing (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-31 CN disclosed
CN-118006577-A Transaminase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-10 CN disclosed
CN-118006577-A Transaminase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-10 CN disclosed
CN-117965480-A Recombinant aminotransferase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-03 CN disclosed
CN-117965480-A Recombinant aminotransferase and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine 上海飞腾医药科技有限公司 2024-05-03 CN disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-12-18 US disclosed
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-12-18 US disclosed
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-12-18 US disclosed
WO-2013088256-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 WO disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 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 (2 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-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 CES2 4174/4885CES1 4168/4885DRD2 4737/4885
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK CES2 4541/4885CES1 3236/4885DRD2 4751/4885

“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.