SCHEMBL13633413

SCHEMBL13633413

O=C(c1ccoc1)N1CCC2(CCNCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
NAMPT P43490 4/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL7170182 0.80 NAMPT (0.65) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL3528070 0.79 CHRNB2 (0.60) NAMPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16565828 0.78 GABRD (0.84) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL13309547 0.77 CHRNB2 (0.43) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17886812 0.75 HPGD (0.64) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL19226554 0.75 GABRD (0.61) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL19226553 0.75 GABRD (0.61) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL31149120 0.74 ENPP2 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21078037 0.73 GABRD (0.59) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14742135 0.72 NAMPT (0.66) GABRDGABRA1GABRB1GABRA5GABRA3

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-7612056-B2 schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, neuropathic pain, pancreatitis, neurogenic inflammation, asthma, chronic obstructive pulmonary disease (COPD) and urinary incontinence JENSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612056-B2 schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, neuropathic pain, pancreatitis, neurogenic inflammation, asthma, chronic obstructive pulmonary disease (COPD) and urinary incontinence JENSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 US disclosed
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 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-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists NPSR1, PROKR2, PROKR1 GABRD 719/4885GABRA1 661/4885GABRB1 442/4885

“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.