SCHEMBL905833

SCHEMBL905833

C[CH]C(N)c1nn(C)c2ccc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR3A P46098 1/20 0.39
ADRB2 P07550 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
TSHR P16473 2/20 0.37
HTR2C P28335 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 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
SCHEMBL24915548 0.81 KDM4E (0.45) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL905752 0.80 MAPK8 (0.41) KDM4EMAPTHTR2CNAMPTPTGER4
SCHEMBL8146151 0.74 HTR3A (0.40) KDM4EMAPTMEN1KMT2AHTR3A
SCHEMBL13899583 0.74 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL13202490 0.72 ADORA2A (0.55) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL905832 0.72 HTR2A (0.46) HTR2CHTR2AHTR2B
SCHEMBL2320642 0.71 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL14737989 0.71 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL29923672 0.71 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL906085 0.70 ALDH1A1 (0.44) HSD17B10ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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 (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 HSD17B10 2277/4885ALDH1A1 527/4885KDM4E 2684/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HSD17B10 2277/4885ALDH1A1 527/4885KDM4E 2684/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HSD17B10 2277/4885ALDH1A1 527/4885KDM4E 2684/4885

“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.