SCHEMBL4667332

SCHEMBL4667332

Cc1noc(-c2ccc(N3CC[C@H](C(=O)N4CCCN(C(C)C)CC4)C3)cc2F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
NOTUM Q6P988 2/20 0.41
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
NR1H2 P55055 1/20 0.39
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
OPRK1 P41145 2/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
S1PR1 P21453 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 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
Hydrochloric Acid SCHEMBL4668664 0.99 HRH3 (0.50) HRH3NOTUMBMPR1BBMPR1ATGFBR1
SCHEMBL4666681 0.97 HRH3 (0.45) HRH3NOTUMBMPR1BBMPR1ATGFBR1
SCHEMBL4667174 0.86 HRH3 (0.53) HRH3NOTUMTBK1MMP2MMP13
SCHEMBL4667342 0.86 ACKR3 (0.43) HRH3NOTUMNR1H2HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4668317 0.85 ACKR3 (0.42) HRH3NOTUMNR1H2HCRTR1HCRTR2
SCHEMBL4666700 0.85 HRH3 (0.56) HRH3NOTUMTBK1MMP2MMP13
Hydrochloric Acid SCHEMBL4668345 0.84 HRH3 (0.55) HRH3NOTUMTBK1MMP2MMP13
SCHEMBL4668359 0.82 HRH3 (0.47) HRH3NOTUMTBK1MMP2MMP13
SCHEMBL4781842 0.82 HRH3 (0.47) HRH3NOTUMTBK1MMP2MMP13
SCHEMBL4666788 0.82 HRH3 (0.47) HRH3NOTUMTBK1MMP2MMP13

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 3 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
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 HRH3 2/4885NOTUM 1590/4885BMPR1B 1804/4885

“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.