SCHEMBL6796568

SCHEMBL6796568

CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3cccs3)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
RAB9A P51151 2/20 0.38
DRD2 P14416 2/20 0.38
NPC1 O15118 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
SCHEMBL6796378 0.85 MTNR1A (0.51) MTNR1AALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL6792706 0.85 MTNR1A (0.51) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6802395 0.83 MTNR1A (0.52) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6790143 0.83 MTNR1A (0.53) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6793833 0.82 MTNR1A (0.53) MTNR1AALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL8432255 0.82 MTNR1A (0.62) MTNR1AALDH1A1KDM4EMAPTKMT2A
SCHEMBL6794918 0.82 MTNR1A (0.54) MTNR1AMAPTRAB9ADRD2NPC1
SCHEMBL6795946 0.81 MTNR1A (0.53) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6793747 0.81 MTNR1A (0.53) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6789667 0.81 MTNR1A (0.53) MTNR1AMAPTHTR1ARAB9ANPC1

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 MTNR1A 91/4885ALDH1A1 1059/4885KDM4E 1737/4885

“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.