SCHEMBL4926293

SCHEMBL4926293

C[CH]C(N)N1CCc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
ROCK1 Q13464 1/20 0.41
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
EIF4E P06730 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL905927 0.82 NOTUM (0.47) NOTUMROCK1ALDH1A1SLC6A2SLC6A4
SCHEMBL906068 0.81 HTR2A (0.40) HTR2CHTR2B
SCHEMBL2632997 0.79 NOTUM (0.53) NOTUMROCK1CNR2ALDH1A1L3MBTL1
SCHEMBL905903 0.78 HTR2A (0.38) HTR2CHTR2B
SCHEMBL906073 0.77 HTR2A (0.56) ALDH1A1HTR2CHTR2B
SCHEMBL906060 0.77 HTR2A (0.56) HTR2CHTR2B
SCHEMBL10311207 0.76 NOTUM (0.50) NOTUMROCK1CNR2ALDH1A1L3MBTL1
SCHEMBL905987 0.74 HTR2A (0.57) HTR2CHTR2B
SCHEMBL906139 0.74 HTR2A (0.57) HTR2CHTR2B
SCHEMBL905863 0.74 ALDH1A1 (0.41) NOTUMALDH1A1SLC6A2SLC6A4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-6380238-B1 FOR THERAPY 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) 2002-04-30 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 (1 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-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C NOTUM 2356/4885ROCK1 1895/4885CNR2 56/4885

“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.