SCHEMBL18611005

SCHEMBL18611005

CC[C@]1(C)CCNc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
HTR5A P47898 2/20 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
SCHEMBL23966212 0.83 BRD4 (0.52) BRD4ALOX15HSD17B10KMT2APOLB
SCHEMBL11537869 0.73 KDM4E (0.44) KMT2ANPSR1ADRA2AADRA2BADRA2C
SCHEMBL20333881 0.73 BRD4 (0.38) BRD4ALOX15HSD17B10KMT2AKDM1A
SCHEMBL21447692 0.73 BRD4 (0.38) BRD4ALOX15HSD17B10KMT2AKDM1A
SCHEMBL1941368 0.72 KDM1A (0.39) BRD4ALOX15HSD17B10KMT2AKDM1A
SCHEMBL17158201 0.71 BRD4 (0.48) BRD4HSD17B10KMT2APOLBTSHR
SCHEMBL17158344 0.71 BRD4 (0.76) BRD4SMN1; SMN2LMNAKDM4EGAA
SCHEMBL22202250 0.69 KDM1A (0.47) KMT2APOLBKDM1ANPSR1CYP1A2
SCHEMBL25946331 0.69 KMT2A (0.41) KMT2ANPSR1ADRA2AADRA2BADRA2C
SCHEMBL17758663 0.69 BRD4 (0.49) BRD4ALOX15HSD17B10KMT2ANPSR1

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-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 BRD4 3885/4885ALOX15 241/4885HSD17B10 991/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 BRD4 3885/4885ALOX15 241/4885HSD17B10 991/4885

“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.