SCHEMBL6795662

SCHEMBL6795662

NC(=O)C1CSc2ccc(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
THRB P10828 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GFER P55789 2/20 0.33
YWHAG P61981 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
RECQL P46063 2/20 0.32
CYP3A4 P08684 2/20 0.32
BLM P54132 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 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
SCHEMBL8436520 0.79 MEN1 (0.37) MAPTMEN1KMT2ATHRBTDP1
SCHEMBL14916471 0.78 ALDH1A1 (0.54) ALDH1A1GAAMEN1KMT2AGFER
SCHEMBL12501518 0.72 PARP1 (0.37) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6795088 0.70 BRD4 (0.39) CA9
SCHEMBL13262102 0.68 HSD17B3 (0.35) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL2850031 0.66 MAPT (0.38) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL8433919 0.64 HTR2B (0.34) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL5395538 0.63 ALDH1A1 (0.50) ALDH1A1GAAMEN1KMT2ATDP1
SCHEMBL20487608 0.63 CA12 (0.35) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL2760934 0.62 MEN1 (0.34) ALDH1A1GAAMAPTMEN1KMT2A

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-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP disclosed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 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 (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-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 ALDH1A1 1059/4885GAA 3929/4885MAPT 2538/4885

“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.