SCHEMBL18239557

SCHEMBL18239557

COc1ccc(CCN(C)CCCN(C)CCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.90
CYP1A2 P05177 3/20 0.90
CYP2D6 P10635 3/20 0.90
BLM P54132 2/20 0.87
PMP22 Q01453 2/20 0.87
SMPD1 P17405 6/20 0.76
AOC3 Q16853 1/20 0.68
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
ABCB1 P08183 4/20 0.58
ABCC1 P33527 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 2/20 0.58
ABCB11 O95342 2/20 0.58
KCNH2 Q12809 2/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 2/20 0.58

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
SCHEMBL7430428 0.95 CYP1A2 (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL7194533 0.93 BLM (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL29651387 0.93 BLM (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL13969525 0.92 CYP3A4 (0.81) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL10875595 0.91 PMP22 (0.82) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL7266646 0.91 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL3656443 0.91 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL7266640 0.91 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL11546332 0.91 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL6633115 0.91 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127354-A1 A PROCESS FOR THE PREPARATION OF VERAPAMIL HYDROCHLORIDE Piramal Enterprises Limited (IN) 2018-05-10 US disclosed
US-20180127354-A1 A PROCESS FOR THE PREPARATION OF VERAPAMIL HYDROCHLORIDE Piramal Enterprises Limited (IN) 2018-05-10 US disclosed
WO-2016181292-A1 A PROCESS FOR THE PREPARATION OF VERAPAMIL HYDROCHLORIDE Piramal Enterprises Limited (IN) 2016-11-17 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-20180127354-A1 A PROCESS FOR THE PREPARATION OF VERAPAMIL HYDROCHLORIDE CACNA1I, CACNA1S, CACNA1C CYP3A4 5/4885CYP1A2 110/4885CYP2D6 61/4885

“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.