SCHEMBL906131

SCHEMBL906131

C[C@H](N)Cn1c2c(c3cc(F)ccc31)CCC2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR2C P28335 4/20 0.44
HTR2A P28223 3/20 0.44
HTR6 P50406 5/20 0.44
LMNA P02545 1/20 0.43
HRH1 P35367 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.81 CA1 (0.60) BCHEMEN1KMT2AHTR2CHTR2A
SCHEMBL906063 0.81 CA1 (0.60) BCHEMEN1KMT2AHTR2CHTR2A
SCHEMBL13877230 0.79 BCHE (0.55) BCHEHTR6HRH1PTGDR2KDM4E
Ammonia Solution, Strong SCHEMBL906134 0.78 HTR6 (0.51) BCHEHTR6HRH1PTGDR2KDM4E
SCHEMBL6628060 0.78 HTR6 (0.38) BCHEMEN1KMT2AHTR2CHTR6
SCHEMBL7529719 0.78 HTR6 (0.38) BCHEMEN1KMT2AHTR2CHTR6
SCHEMBL905786 0.78 HTR6 (0.38) BCHEMEN1KMT2AHTR2CHTR6
SCHEMBL7467529 0.77 HTR6 (0.47) BCHEHTR2CHTR2AHTR6HRH1
SCHEMBL905938 0.76 HTR2C (0.36) BCHEMEN1KMT2AHTR2CHTR2A
SCHEMBL7481433 0.74 KDM4E (0.52) BCHEHTR2CHTR2AHTR6KDM4E

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 BCHE 1192/4885MEN1 4045/4885KMT2A 2378/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C BCHE 1192/4885MEN1 4045/4885KMT2A 2378/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C BCHE 1192/4885MEN1 4045/4885KMT2A 2378/4885

“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.