SCHEMBL905948

SCHEMBL905948

NCCCn1ccc2ccc3ncccc3c21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.62
HTR2C P28335 12/20 0.62
HTR2B P41595 11/20 0.62
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CAMK2D Q13557 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL6603622 0.82 HTR2A (0.67) HTR2AHTR2CHTR2BCYP3A4MAPT
Hydrochloric Acid SCHEMBL6607986 0.81 HTR2A (0.66) HTR2AHTR2CHTR2BCYP3A4MAPT
SCHEMBL6604307 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6603614 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6605040 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL17296509 0.76 HTR2C (0.63) HTR2AHTR2CHTR2BCYP3A4MAPT
Hydrochloric Acid SCHEMBL6607981 0.76 HTR2C (0.97) HTR2AHTR2CHTR2BCYP3A4
Hydrochloric Acid SCHEMBL6604400 0.76 HTR2C (0.97) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6604236 0.74 HTR2A (0.60) HTR2AHTR2CHTR2BCYP3A4MAPT
SCHEMBL4826871 0.74 HTR2A (0.76) HTR2AHTR2CHTR2BCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109809-B1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY CEREBRUS PHARM LTD (GB) 2004-11-17 EP claimed
US-6365598-B1 FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885

“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.