SCHEMBL2901803

SCHEMBL2901803

CCN(CC)C(c1ccc(-c2ccc(F)cc2)cc1)c1c[nH]nc1-c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 7/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 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
SCHEMBL2902674 0.91 PIK3R1 (0.38) PIK3R1PIK3CAMAPTALDH1A1HPGD
SCHEMBL2902807 0.88 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL2905202 0.77 CHRM1 (0.36) PIK3R1PIK3CA
SCHEMBL2906827 0.75 AKT1 (0.40) PIK3R1PIK3CAPTGDR2MAPTALDH1A1
SCHEMBL2904844 0.73 OPRD1 (0.40) PIK3R1PIK3CAMAPTMEN1KMT2A
SCHEMBL2903266 0.73 P4HB (0.41) PIK3R1PIK3CAMAPTALDH1A1PKM
SCHEMBL2909335 0.71 HRH3 (0.43) PIK3R1PIK3CAMAPTALDH1A1TSHR
SCHEMBL2902356 0.70 MEN1 (0.41) PIK3R1PIK3CAPTGDR2MEN1KMT2A
SCHEMBL2905980 0.69 ALDH1A1 (0.42) PTGDR2MAPTALDH1A1TSHRPKM
SCHEMBL2907737 0.69 LMNA (0.33) PIK3R1PIK3CAPTGDR2MAPTALDH1A1

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
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A PIK3R1 2479/4885PIK3CA 3500/4885PTGDR2 235/4885

“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.