SCHEMBL3050388

SCHEMBL3050388

Cc1c(-c2ccc(CNCCC3CCCCC3)cc2F)ccc2[nH]cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.37
VSIR Q9H7M9 4/20 0.35
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
Hydrochloric Acid SCHEMBL3046823 0.99 HRH4 (0.36) HRH4VSIRSIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL3047062 0.88 DPP4 (0.37) HRH4VSIRSIGMAR1DRD2DRD4
SCHEMBL3942707 0.85 HTR1A (0.34) HRH4BCHE
SCHEMBL13137024 0.85 SIGMAR1 (0.33) HRH4VSIRSIGMAR1BCHEALDH1A1
SCHEMBL3050665 0.85 HRH4 (0.35) HRH4VSIRBCHEJAK2JAK1
Hydrochloric Acid SCHEMBL3043894 0.84 HRH4 (0.35) HRH4VSIRBCHEKDM4EJAK2
SCHEMBL13137233 0.84 HRH4 (0.35) HRH4SIGMAR1DRD4DRD3BCHE
Hydrochloric Acid SCHEMBL3047059 0.83 HRH4 (0.34) HRH4SIGMAR1DRD4DRD3BCHE
Hydrochloric Acid SCHEMBL3047318 0.83 BCHE (0.34) HRH4VSIRBCHEJAK2JAK1
Hydrochloric Acid SCHEMBL3048929 0.82 BTK (0.35) HRH4VSIRBCHEHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US claimed

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HRH4 308/4885VSIR 2044/4885SIGMAR1 15/4885

“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.