SCHEMBL18067902

SCHEMBL18067902

CCCCCCc1ccc(CC)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
KCNH2 Q12809 1/20 0.48
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44

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
SCHEMBL23436588 1.00 HRH3 (0.53) HRH3CYP1A2CYP2D6KCNH2MAPT
SCHEMBL4070681 0.98 HRH3 (0.54) HRH3CYP1A2CYP2D6KCNH2MAPT
SCHEMBL2619348 0.92 HRH3 (0.56) HRH3CYP1A2CYP2D6KCNH2MAPT
SCHEMBL29058183 0.91 RAB9A (0.55) CYP1A2KCNH2MAPTRAB9ASMN1; SMN2
SCHEMBL30542615 0.91 RAB9A (0.55) CYP1A2KCNH2MAPTRAB9ASMN1; SMN2
SCHEMBL22368184 0.91 RAB9A (0.55) CYP1A2KCNH2MAPTRAB9ASMN1; SMN2
SCHEMBL28879024 0.91 RAB9A (0.55) CYP1A2KCNH2MAPTRAB9ASMN1; SMN2
SCHEMBL23531409 0.89 RAB9A (0.54) CYP1A2KCNH2MAPTRAB9ASMN1; SMN2
SCHEMBL5712637 0.89 RAB9A (0.53) HRH3CYP1A2KCNH2MAPTRAB9A
SCHEMBL20411973 0.87 NFKB1 (0.53) CYP1A2KCNH2MAPTRAB9ASMN1; SMN2

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
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL HRH3 4837/4885CYP1A2 737/4885CYP2D6 398/4885

“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.