SCHEMBL906074

SCHEMBL906074

NCCCc1c2n(c3ccc(Br)cc13)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
HTR2C P28335 2/20 0.42
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR2A P28223 3/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
ALOX15 P16050 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
CHEK1 O14757 1/20 0.32
RAD52 P43351 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL906043 0.84 HTR6 (0.43) HTR6HTR2CGAAMAPK1HTR2A
SCHEMBL905928 0.81 HTR6 (0.66) HTR6HTR2CGAAMAPK1KMT2A
SCHEMBL905731 0.80 HTR6 (0.38) HTR6HTR2CGAAMAPK1HTR2A
SCHEMBL6644439 0.78 HTR2C (0.67) HTR6HTR2CGAAMAPK1HTR2A
SCHEMBL5369310 0.72 HTR2C (0.48) HTR6HTR2CHTR2AKMT2AMEN1
SCHEMBL12579952 0.71 HTR2C (0.71) HTR6HTR2CGAAMAPK1HTR2A
Fumaric Acid SCHEMBL6645653 0.70 HTR2C (0.57) HTR6HTR2CGAAMAPK1HTR2A
Fumaric Acid SCHEMBL6645657 0.70 HTR2C (0.57) HTR6HTR2CGAAMAPK1HTR2A
SCHEMBL6839406 0.70 HTR2C (0.54) HTR6HTR2CHTR2AHTR1AMTNR1A
SCHEMBL6641493 0.70 HTR2A (0.45) HTR6HTR2CGAAMAPK1HTR2A

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 4 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
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 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 HTR6 21/4885HTR2C 1/4885GAA 2005/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885GAA 2005/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885GAA 2005/4885

“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.