SCHEMBL3136750

SCHEMBL3136750

c1cc2c(cn1)[C@@H]1NCC[C@@H]1C2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA2 Q15822 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL3148516 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA2CHRNA7
Hydrochloric Acid SCHEMBL53199 0.98 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA2CHRNA7
Hydrochloric Acid SCHEMBL53425 0.98 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA2CHRNA7
SCHEMBL12733200 0.85 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA2CHRNA7
SCHEMBL9600234 0.75 PRCP (0.57) CHRNB2CHRNA4HTR2C
SCHEMBL31374586 0.75 PRCP (0.57) CHRNB2CHRNA4HTR2C
SCHEMBL31374588 0.75 PRCP (0.57) CHRNB2CHRNA4HTR2C
SCHEMBL18322101 0.70 PNMT (0.41) HTR2AHTR2CHTR2B
SCHEMBL3819190 0.68 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA2CHRNA7
Hydrochloric Acid SCHEMBL3134497 0.67 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076011-A1 Enantiomer-Pure Hexahydro-Pyrrolocyclopenta-Pyridine Derivatives BINDER, EVA (AT) 2010-03-25 US disclosed
EP-1740585-B1 ENANTIOMER-PURE HEXAHYDROPYRROLOCYCLOPENTAPYRIDINE DERIVATIVES BINDER EVA (AT) 2009-08-19 EP disclosed
EP-1740585-A1 ENANTIOMER-PURE HEXAHYDRO- PYRROLOCYCLOPENTA- PYRIDINE DERIVATIVES Binder, Eva HF (AT) 2007-01-10 EP disclosed
WO-2005105800-A1 ENANTIOMER-PURE HEXAHYDRO- PYRROLOCYCLOPENTA- PYRIDINE DERIVATIVES BINDER, EVA (AT) 2005-11-10 WO 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-20100076011-A1 Enantiomer-Pure Hexahydro-Pyrrolocyclopenta-Pyridine Derivatives FFAR3, FFAR2, FFAR1 CHRNB2 680/4885CHRNA4 302/4885CHRNB4 575/4885

“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.