SCHEMBL17697216

SCHEMBL17697216

CC1(C(F)(F)F)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL17563338 0.84 TSHR (0.31)
SCHEMBL25005443 0.84 TSHR (0.31)
Hydrochloric Acid SCHEMBL28947396 0.82 TSHR (0.33)
SCHEMBL26532527 0.78
SCHEMBL91090 0.78
SCHEMBL12770345 0.74 OPRM1 (0.30)
SCHEMBL2553772 0.73
SCHEMBL9908401 0.73
SCHEMBL21974222 0.71
SCHEMBL21974221 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 EP disclosed
US-20230108588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-04-06 US disclosed
EP-3080100-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-30 EP disclosed
WO-2021018012-A1 IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR 珠海宇繁生物科技有限责任公司 2021-02-04 WO disclosed
US-10864202-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-12-15 US disclosed
US-9822119-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-21 US disclosed
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. 2016-10-20 US disclosed
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 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 (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-20230108588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF NSUN3, EIF2AK2, NSUN2 CYP3A4 3827/4885CYP2D6 4747/4885
US-10864202-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A CYP3A4 3114/4885CYP2D6 2696/4885
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CYP3A4 3114/4885CYP2D6 2696/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CYP3A4 3114/4885CYP2D6 2696/4885

“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.