SCHEMBL3435110

SCHEMBL3435110

COc1ccccc1OCCCN1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HTR3A P46098 1/20 0.50
HTR6 P50406 1/20 0.50

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
SCHEMBL3436048 0.92 POLB (0.55) KDM4ETDP1CYP2C19ALDH1A1SIGMAR1
Ammonia Solution, Strong SCHEMBL28445735 0.83 MEN1 (0.58) KDM4ETDP1CYP2D6CYP2C19ALDH1A1
SCHEMBL29875845 0.82 KDM4E (0.49) KDM4E
SCHEMBL12801532 0.82 EHMT2 (0.48) HRH3
SCHEMBL11539713 0.82 CYP2D6 (0.68) KDM4ETDP1CYP2D6CYP2C19ALDH1A1
SCHEMBL9644974 0.81 SIGMAR1 (0.65) CYP2D6SIGMAR1KCNH2HRH3DRD2
SCHEMBL14393362 0.80 HRH3 (0.60) HRH3
SCHEMBL11827244 0.79 TDP1 (0.70) TDP1MEN1KMT2AHRH3DRD3
Hydrochloric Acid SCHEMBL5623394 0.79 HRH3 (0.58) HRH3
SCHEMBL7445795 0.79 POLB (0.75) CYP2D6ALDH1A1TSHRMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 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 (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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C KDM4E 2362/4885TDP1 3809/4885CYP2D6 378/4885

“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.