SCHEMBL8586113

SCHEMBL8586113

NCCc1csc2ccc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
CA2 P00918 1/20 0.56
MPO P05164 5/20 0.49
HTR2A P28223 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
HTR1A P08908 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2A6 P11509 4/20 0.47
HTR5A P47898 1/20 0.45
MAPT P10636 3/20 0.39
TAAR1 Q96RJ0 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
Hydrochloric Acid SCHEMBL7145521 0.98 MTNR1A (0.56) MTNR1AMTNR1BCA2MPOHTR2A
SCHEMBL5234280 0.90 MTNR1A (0.55) MTNR1AMTNR1BCA2MPOHTR2A
SCHEMBL8587322 0.86 HTR2A (0.49) MTNR1AMTNR1BCA2MPOHTR2A
SCHEMBL4605763 0.86 CYP2A6 (0.64) MTNR1AMTNR1BCA2MPOHTR2A
SCHEMBL8435339 0.83 MTNR1A (0.61) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL27628031 0.83 MTNR1A (0.57) MTNR1AMTNR1BCA2CYP2A6MAPT
SCHEMBL8591649 0.82 CYP2A6 (0.50) MTNR1AMTNR1BCA2CYP2A6HTR5A
SCHEMBL8648779 0.80 MTNR1A (0.58) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL8435459 0.80 MTNR1A (0.58) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL6985740 0.80 MTNR1A (0.55) MTNR1AMTNR1BCA2MPOCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678644-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Yidi Biotechnology Co., Ltd. (CN) 2026-01-14 EP disclosed
WO-2024213089-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海壹迪生物技术有限公司 2024-10-17 WO disclosed
CN-108264509-B Substituted benzothieno [2,3-c ] tetrahydropyridine derivatives, preparation method and application thereof 复旦大学 2021-05-04 CN disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
WO-1998027984-A1 METHOD OF PRODUCING ANALGESIA BY ADMINISTRATION OF 1,2,3,4-TETRAHYDROBENZO-[b]THIENO[2,3-c]PYRIDINE AND DERIVATIVES NEUREX CORPORATION (US) 1998-07-02 WO disclosed
US-4971974-A ANOREXIGENIC AGENTS, BENZO B!THIENO 2,3-C!PYRIDINE COMPOUNDS NEUREX CORPORATION (US) 1990-11-20 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 (1 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 MTNR1A 910/4885MTNR1B 1131/4885CA2 1127/4885

“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.