SCHEMBL695559

SCHEMBL695559

Clc1ccccc1[C]1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD11B1 P28845 1/20 0.41
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL2543007 0.90 CYP2A6 (0.48) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL7842540 0.90 CYP2A6 (0.48) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL18549966 0.87 CYP2A6 (0.46) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL6075548 0.80 CYP2A6 (0.40) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL3807297 0.79 NOTUM (0.42) CYP2A6TSHRIDO1MAPTMAPK1
SCHEMBL29883244 0.78 CYP2A6 (0.67) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL29802156 0.78 CYP2A6 (0.67) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL671133 0.78 CYP2A6 (0.67) CYP2A6LMNATSHRNPC1RAB9A
Ammonia Solution, Strong SCHEMBL735046 0.76 CYP2A6 (0.63) CYP2A6LMNATSHRNPC1RAB9A
Hydrogen Sulfide SCHEMBL8574751 0.76 CYP2A6 (0.63) CYP2A6LMNATSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP claimed
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO claimed
EP-3337787-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Changzhou Jiekai Pharmatech Co. Ltd. (CN) 2018-06-27 EP claimed
WO-2017028314-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-02-23 WO claimed
EP-2782903-B1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN HOFFMANN LA ROCHE (CH) 2016-04-06 EP claimed
EP-2782903-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP claimed
US-8729061-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US claimed
WO-2013076063-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO claimed
CN-101951909-B Pyridopyrazinones derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH 2013-05-15 CN claimed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US claimed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP claimed
CN-101951909-A As the pyrido-pyrazine ketones derivant of insulin secretion stimulant, the method that obtains them and the purposes in the treatment diabetes thereof MERCK PATENT GMBH 2011-01-19 CN claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
CN-115124440-B Preparation method of prothioconazole intermediate 江苏七洲绿色科技研究院有限公司 2024-05-31 CN disclosed
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP disclosed
US-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4952720-A Ortho-substituted benzyl carboxylates and fungicides which contain these compounds BASF AKTIENGSELLSCHAFT (DE) 1990-08-28 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 (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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CYP2A6 1212/4885LMNA 3920/4885TSHR 2043/4885
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, PRMT7, PRLHR CYP2A6 1123/4885LMNA 4095/4885TSHR 1469/4885

“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.