SCHEMBL21434121

SCHEMBL21434121

Clc1cc(N2CC3(CNC3)C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HTR7 P34969 3/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33

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
SCHEMBL12758920 0.81 TMEM97 (0.42) HRH3ALDH1A1HSD17B10CYP2D6CYP3A4
SCHEMBL12758917 0.77 CYP17A1 (0.38) HRH3ALDH1A1HSD17B10CYP2D6CYP3A4
SCHEMBL21434140 0.76 CYP2C9 (0.39) ALDH1A1HSD17B10CYP2D6CYP3A4CYP1A2
SCHEMBL21667712 0.75 CYP2C9 (0.54) ALDH1A1HSD17B10CYP2D6CYP3A4TSHR
SCHEMBL23152497 0.75 HTR7 (0.46) HTR7RECQLLOXLOXL3LOXL2
SCHEMBL21434130 0.75 CYP2C9 (0.50) ALDH1A1HSD17B10CYP2D6CYP3A4CYP1A2
SCHEMBL21590389 0.75 AR (0.34) HRH3ALDH1A1HSD17B10CYP2D6CYP3A4
SCHEMBL25220807 0.75 ADRB1 (0.56) ALDH1A1HSD17B10CYP2D6CYP1A2TP53
SCHEMBL1432978 0.75 ADRB2 (0.56) HTR7CYP2D6CYP3A4CYP1A2TP53
SCHEMBL25260389 0.72 ADRB1 (0.41) ALDH1A1HSD17B10CYP2D6CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — 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 (3 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B EIF2AK4 2028/4885HRH3 292/4885HTR7 96/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B EIF2AK4 2028/4885HRH3 292/4885HTR7 96/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B EIF2AK4 2009/4885HRH3 288/4885HTR7 109/4885

“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.

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