SCHEMBL18939745

SCHEMBL18939745

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCC(C)C)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
BMP1 P13497 5/20 0.47
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 3/20 0.45
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL16710126 0.93 BMP1 (0.47) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710089 0.91 CYP1A2 (0.56) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706677 0.91 NPC1 (0.50) RAB9ANPC1POLBBCHESMN1; SMN2
SCHEMBL16706685 0.90 BCHE (0.43) POLBBMP1BCHESMN1; SMN2ALDH1A1
SCHEMBL18427194 0.90 NPC1 (0.49) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710129 0.89 BCHE (0.45) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710130 0.88 RAB9A (0.48) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710127 0.88 RAB9A (0.48) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710087 0.88 SMN1; SMN2 (0.61) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710100 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 RAB9A 1672/4885CYP1A2 2116/4885CYP3A4 4245/4885

“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.