SCHEMBL19978992

SCHEMBL19978992

CN1CCC2(C1)CN(I)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
USP2 O75604 2/20 0.35
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP2C19 P33261 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14818017 0.88 CYP3A4 (0.39) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL19704965 0.87 TSHR (0.36) CYP3A4TSHRCYP2D6CYP1A2DRD4
SCHEMBL25695954 0.86 USP2 (0.44) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL19978993 0.85 USP2 (0.32) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL18390364 0.85 USP2 (0.39) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL1753694 0.84 USP2 (0.39) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL15679557 0.82 CYP3A4 (0.46) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL1753720 0.81 CYP3A4 (0.42) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL18914515 0.80 TSHR (0.35) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL24073848 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2022022600-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-03 WO disclosed
WO-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
EP-3512857-B1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
WO-2019029620-A1 ATX INHIBITORS, PREPARATION METHOD THEREFOR AND APPLICATIONS THEREOF 广州市恒诺康医药科技有限公司 2019-02-14 WO disclosed
WO-2018050686-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-03-22 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 (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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 CYP3A4 4575/4885TSHR 2105/4885CYP2D6 4546/4885

“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.