SCHEMBL461872

SCHEMBL461872

COc1ccc(-c2ncn(-c3nc(N4CCC(CCCc5ccccc5)CC4)n[nH]3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
CHIA Q9BZP6 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KCNA3 P22001 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
GLA P06280 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL425689 0.74 OPRM1 (0.49) OPRM1LMNATSHRSIGMAR1ALDH1A1
SCHEMBL460531 0.67 ALDH1A1 (0.46) MAPTLMNAALDH1A1CYP3A4CYP1A2
SCHEMBL25278724 0.65 DRD2 (0.59) OPRM1LMNATSHRALDH1A1CYP2D6
SCHEMBL2766536 0.63 OPRM1 (0.46) OPRM1MAPTKCNA3HSD17B10CHRM4
SCHEMBL10503072 0.62 SLC18A3 (0.48) TSHRCLK4ALDH1A1USP2CYP3A4
Hydrochloric Acid SCHEMBL10502735 0.62 SLC18A3 (0.47) TSHRCLK4ALDH1A1USP2CYP3A4
SCHEMBL25434605 0.61 NEK2 (0.53) MAPTLMNAUSP2TP53RAB9A
SCHEMBL8773212 0.61 RAB9A (0.53) MAPTSIGMAR1CLK4ALDH1A1USP2
SCHEMBL9388165 0.60 SLC18A3 (0.58) SIGMAR1
SCHEMBL11401146 0.59 TDP1 (0.56) ALDH1A1

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 OPRM1 887/4885MAPT 1705/4885LMNA 2523/4885

“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.