SCHEMBL4668384

SCHEMBL4668384

CC(C)N1CCCN(C(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)nc3)C2)CC1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.90
NOTUM Q6P988 4/20 0.50
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
CHRM4 P08173 1/20 0.42
SLC6A9 P48067 1/20 0.41

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
SCHEMBL4668383 1.00 HRH3 (0.90) HRH3NOTUMMMP2MMP13DGAT2
SCHEMBL4667344 1.00 HRH3 (0.90) HRH3NOTUMMMP2MMP13DGAT2
Hydrochloric Acid SCHEMBL4669578 0.99 HRH3 (0.89) HRH3NOTUMMMP2MMP13DGAT2
Hydrochloric Acid SCHEMBL4666741 0.99 HRH3 (0.89) HRH3NOTUMMMP2MMP13DGAT2
Hydrochloric Acid SCHEMBL4669579 0.99 HRH3 (0.89) HRH3NOTUMMMP2MMP13DGAT2
SCHEMBL4666622 0.96 HRH3 (0.83) HRH3NOTUMMMP2MMP13CHRM4
SCHEMBL118214 0.95 HRH3 (1.00) HRH3NOTUMMMP2MMP13CHRM4
Hydrochloric Acid SCHEMBL3865378 0.94 HRH3 (0.98) HRH3NOTUMMMP2MMP13CHRM4
SCHEMBL3859666 0.91 HRH3 (0.92) HRH3MMP2MMP13CHRM4SLC6A9
Hydrochloric Acid SCHEMBL3878761 0.90 HRH3 (0.90) HRH3MMP2MMP13CHRM4SLC6A9

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
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP claimed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 HRH3 2/4885NOTUM 1590/4885MMP2 4238/4885

“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.