SCHEMBL7896331

SCHEMBL7896331

CC1CC1c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.56
HTR2C P28335 5/20 0.56
HTR2B P41595 5/20 0.56
KDM1A O60341 3/20 0.44
RCOR1 Q9UKL0 1/20 0.44
GRIA4 P48058 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ACHE P22303 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL13272292 1.00 HTR2A (0.56) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL19444237 1.00 HTR2A (0.56) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL17147624 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL19102679 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL3422301 0.79 HTR2C (0.61) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL3419759 0.79 HTR2C (0.61) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL6998583 0.79 HTR2C (0.61) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL3031647 0.79 HTR2C (0.61) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL23993595 0.77 HTR2A (0.50) HTR2AHTR2CHTR2BKDM1ARCOR1
SCHEMBL13251359 0.77 HTR2A (0.50) HTR2AHTR2CHTR2BKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011488-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF 苏州亚盛药业有限公司 2023-02-09 WO disclosed
US-20210290594-A1 BISDIAZABICYCLO COMPOUND FOR TREATMENT AND/OR PREVENTION OF HEPATITIS VIRUS-RELATED DISEASES OR DISORDERS HealthQuest Pharma Inc. (CN) 2021-09-23 US disclosed
WO-2021110011-A1 COMBINATION OF IAP INHIBITORS AND PARP OR MEK INHIBITORS OR OTHER CHEMOTHERAPEUTIC AGENTS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-06-10 WO disclosed
WO-2020024932-A1 METHOD FOR TREATING CANCER BY COMBINATION OF IAP INHIBITOR AND MODULATOR OF IMMUNE CHECKPOINT MOLECULE ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-02-06 WO disclosed
EP-2888265-B1 BIVALENT INHIBITORS OF IAP PROTEINS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-10-11 EP disclosed
US-8883771-B2 Bivalent inhibitors of IAP proteins and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-11 US disclosed
US-20140057924-A1 BIVALENT INHIBITORS OF IAP PROTEINS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-02-27 US disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed
WO-2010085749-A2 POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS WITH IMPROVED MEMBRANE PERMEABILITY NORTHWESTERN UNIVERSITY (US) 2010-07-29 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-20210290594-A1 BISDIAZABICYCLO COMPOUND FOR TREATMENT AND/OR PREVENTION OF HEPATITIS VIRUS-RELATED DISEASES OR DISORDERS HAVCR2, NR1H4, SLC10A1 HTR2A 3770/4885HTR2C 3817/4885HTR2B 3684/4885
US-20140057924-A1 BIVALENT INHIBITORS OF IAP PROTEINS AND THERAPEUTIC METHODS USING THE SAME BIRC2, BIRC5, BIRC7 HTR2A 4412/4885HTR2C 4704/4885HTR2B 4357/4885

“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.