SCHEMBL4855424

SCHEMBL4855424

CNCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 11/20 0.45
PRMT6 Q96LA8 11/20 0.45
HTR1A P08908 2/20 0.42
ADRA1B P35368 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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 SCHEMBL5015868 0.99 CARM1 (0.44) CARM1PRMT6HTR1AADRA1BSIGMAR1
SCHEMBL4251023 0.86 DRD2 (0.50) HTR1AADRA1BSIGMAR1
SCHEMBL4858220 0.85 HTR1A (0.43) HTR1AADRA1B
Hydrochloric Acid SCHEMBL4850972 0.85 DRD2 (0.49) HTR1AADRA1BSIGMAR1
SCHEMBL9853259 0.84 CARM1 (0.55) CARM1PRMT6HTR1AADRA1BSIGMAR1
Hydrochloric Acid SCHEMBL4859556 0.84 HTR1A (0.42) HTR1AADRA1B
SCHEMBL4256037 0.84 KDM4E (0.53) HTR1AADRA1B
SCHEMBL14072983 0.83 CHRNA7 (0.44) HTR1AADRA1BSIGMAR1HRH3
Hydrochloric Acid SCHEMBL9739959 0.83 CARM1 (0.54) CARM1PRMT6HTR1AADRA1BSIGMAR1
SCHEMBL4857776 0.83 DRD2 (0.48) HTR1AADRA1BTMEM97

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-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 CARM1 526/4885PRMT6 1661/4885HTR1A 1013/4885

“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.