SCHEMBL15533822

SCHEMBL15533822

O=S(=O)(c1ccccc1)C1CNCCN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 8/20 0.37
PNMT P11086 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
KMT2A Q03164 1/20 0.35
PARL Q9H300 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL10785476 0.85 MAPT (0.47) MAPTHTR2CHTR6ALDH1A1GAA
SCHEMBL27859707 0.76 KMT2A (0.45) MAPTHTR2CHTR6ALDH1A1KDM4E
SCHEMBL24416127 0.75 KMT2A (0.51) MAPTHTR6ALDH1A1KDM4EKMT2A
SCHEMBL7449614 0.75 HTR6 (0.42) MAPTHTR2CHTR2BHTR6ALDH1A1
SCHEMBL336837 0.73 HTR2A (0.45) MAPTHTR2CHTR6HTR2A
SCHEMBL8754676 0.71
Hydrochloric Acid SCHEMBL3547060 0.71 HTR2A (0.44) MAPTHTR2CHTR6KMT2AHTR2A
SCHEMBL28710661 0.71 HTR2A (0.46) MAPTHTR2CHTR6ALDH1A1HTR2A
SCHEMBL10870180 0.70 HTR2C (0.39) MAPTHTR2CHTR6ALDH1A1
SCHEMBL711807 0.70 APLNR (0.50) MAPTHTR2CHTR6KMT2AHTR2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144759-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US 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
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
EP-3056493-B1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO (JP) 2017-07-12 EP disclosed
US-20170137412-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-18 US disclosed
US-9585881-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-06 US disclosed
EP-3056493-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-08-17 EP disclosed
US-9394250-B2 Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-19 US disclosed
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2855452-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO Pharmaceutical Co., Ltd. (JP) 2015-04-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 MAPT 4808/4885HTR2C 4365/4885HTR2B 3964/4885
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 MAPT 4808/4885HTR2C 4365/4885HTR2B 3964/4885
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 MAPT 4808/4885HTR2C 4365/4885HTR2B 3964/4885
US-20170137412-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 MAPT 4808/4885HTR2C 4365/4885HTR2B 3964/4885
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 MAPT 4808/4885HTR2C 4365/4885HTR2B 3964/4885
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 MAPT 4808/4885HTR2C 4365/4885HTR2B 3964/4885
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F10, F9 MAPT 4819/4885HTR2C 4403/4885HTR2B 4054/4885
US-20220144759-A1 COMPOUND SFXN3, SFXN1, CBR3 MAPT 4522/4885HTR2C 1978/4885HTR2B 2303/4885

“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.