SCHEMBL906063

SCHEMBL906063

C[C@H](N)Cn1c2c(c3ccccc31)CCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
BACE1 P56817 4/20 0.56
HTR6 P50406 2/20 0.55
BCHE P06276 2/20 0.54
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 2/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL905718 1.00 CA1 (0.60) CA1CA2ALDH1A1MAPK1BACE1
SCHEMBL5023245 0.86 CA1 (0.57) CA1CA2ALDH1A1MAPK1BACE1
SCHEMBL906131 0.81 BCHE (0.53) ALDH1A1MAPK1HTR6BCHEKDM4E
SCHEMBL7481433 0.79 KDM4E (0.52) ALDH1A1MAPK1BACE1HTR6BCHE
SCHEMBL905851 0.79 KDM4E (0.52) ALDH1A1MAPK1BACE1HTR6BCHE
SCHEMBL905980 0.78 BACE1 (0.41) CA1CA2ALDH1A1MAPK1BACE1
SCHEMBL11712273 0.77 BACE1 (0.59) ALDH1A1BACE1KDM4EHTR2AHTR2C
SCHEMBL14197447 0.77 CA1 (0.65) CA1CA2ALDH1A1MAPK1BACE1
SCHEMBL25733708 0.77 CA1 (0.61) CA1CA2ALDH1A1MAPK1HTR6
SCHEMBL30184445 0.76 CA1 (0.71) CA1CA2ALDH1A1MAPK1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP claimed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US claimed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP claimed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 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 (3 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C CA1 4167/4885CA2 2598/4885ALDH1A1 527/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C CA1 4167/4885CA2 2598/4885ALDH1A1 527/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C CA1 4167/4885CA2 2598/4885ALDH1A1 527/4885

“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.