SCHEMBL6470302

SCHEMBL6470302

C1CCC(C2CCCC[N]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.41
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8397070 1.00 NOS1 (0.41) NOS1NOS2NOS3ALDH1A1
SCHEMBL7853007 1.00 NOS1 (0.41) NOS1NOS2NOS3ALDH1A1
SCHEMBL7854014 1.00 NOS1 (0.41) NOS1NOS2NOS3ALDH1A1
SCHEMBL8391462 1.00 NOS1 (0.41) NOS1NOS2NOS3ALDH1A1
SCHEMBL8396522 1.00 NOS1 (0.41) NOS1NOS2NOS3ALDH1A1
SCHEMBL6860548 0.97 NOS1 (0.39) NOS1NOS2NOS3ALDH1A1
SCHEMBL38199 0.97 NOS1 (0.39) NOS1NOS2NOS3ALDH1A1
SCHEMBL7856561 0.94 NOS1 (0.38) NOS1NOS2NOS3ALDH1A1
SCHEMBL37825 0.94 NOS1 (0.38) NOS1NOS2NOS3ALDH1A1
SCHEMBL1884259 0.94 NOS1 (0.41) NOS1NOS2NOS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143370-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND AS WELL AS COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-08-03 WO claimed
WO-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 WO claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
CN-116947877-A Benzimidazole derivative and application thereof in medicine 四川海思科制药有限公司 2023-10-27 CN disclosed
WO-2023143370-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND AS WELL AS COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-08-03 WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2021-05-20 US disclosed
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2021-01-05 US disclosed
WO-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 WO disclosed
US-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-29 US disclosed
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2019-07-02 US disclosed
WO-2013174937-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD (JP) 2013-11-28 WO disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP 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 (4 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-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 NOS1 428/4885NOS2 565/4885NOS3 456/4885
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 NOS1 428/4885NOS2 565/4885NOS3 456/4885
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 NOS1 428/4885NOS2 565/4885NOS3 456/4885
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F10, F9 NOS1 727/4885NOS2 939/4885NOS3 683/4885

“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.