SCHEMBL905852

SCHEMBL905852

C[CH][C@@H](N)n1c2c(c3ccc(OC)cc31)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 4/20 0.42
MAOA P21397 1/20 0.37
ACHE P22303 7/20 0.36
BCHE P06276 5/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
BACE1 P56817 1/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7481438 1.00 KDM4E (0.44) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL905719 0.79 CA1 (0.46) KDM4EALDH1A1HSD17B10MAPK1HTR6
SCHEMBL906064 0.79 CA1 (0.46) KDM4EALDH1A1HSD17B10MAPK1HTR6
SCHEMBL6628062 0.78 HTR6 (0.32) HSD17B10HTR6
SCHEMBL905851 0.75 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL7481433 0.75 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL906133 0.74 PTGDR2 (0.41) HTR6ACHEBCHEGRIN1GRIN2A
Ammonia Solution, Strong SCHEMBL905854 0.69 KDM4E (0.57) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL905841 0.66 DYRK1A (0.40) KDM4EALDH1A1MAOAACHEBCHE
SCHEMBL3994268 0.65 HSD17B10 (0.62) KDM4EALDH1A1HSD17B10MAPK1HTT

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 10 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
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 KDM4E 2684/4885ALDH1A1 527/4885HSD17B10 2277/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C KDM4E 2684/4885ALDH1A1 527/4885HSD17B10 2277/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C KDM4E 2684/4885ALDH1A1 527/4885HSD17B10 2277/4885

“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.