SCHEMBL12376502

SCHEMBL12376502

CC(C)c1ccc2c(c1)N(C)CCN2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NOTUM Q6P988 1/20 0.37
NR1H3 Q13133 1/20 0.37
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MGLL Q99685 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL20132729 0.88 LMNA (0.38) LMNAHTTSMN1; SMN2NR1H3TRPA1
SCHEMBL15625465 0.87 HTT (0.33) LMNAHTTSMN1; SMN2NOTUMNR1H3
SCHEMBL7919701 0.79 HTR2A (0.43) SMN1; SMN2NOTUMHPGDALDH1A1GAA
SCHEMBL15445211 0.79 XIAP (0.42) LMNAHTTSMN1; SMN2NOTUMHPGD
SCHEMBL27411407 0.77 CYP2D6 (0.38) SMN1; SMN2NOTUMALDH1A1GAATDP1
SCHEMBL13252969 0.76 ALDH1A1 (0.44) LMNAHTTSMN1; SMN2NOTUMHPGD
SCHEMBL69983 0.76 TDP1 (0.51) HTTNOTUMPTGS1ALDH1A1TDP1
SCHEMBL8738948 0.76 ALDH1A1 (0.55) HTTSMN1; SMN2HPGDALDH1A1GAA
SCHEMBL23510468 0.74 HTR1D (0.33) LMNAHTTSMN1; SMN2NR1H3TRPA1
SCHEMBL70633 0.74 TDP1 (0.53) HTTNOTUMPTGS1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 US disclosed
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP disclosed
EP-3468996-B1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2022-05-04 EP disclosed
WO-2021115489-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
WO-2021114314-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
US-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 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 (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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 LMNA 231/4885HTT 2324/4885SMN1; SMN2 948/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 LMNA 4362/4885HTT 413/4885SMN1; SMN2 1266/4885

“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.