SCHEMBL6789882

SCHEMBL6789882

CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.52
MTNR1A P48039 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOTUM Q6P988 7/20 0.45
GAA P10253 1/20 0.44
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
AR P10275 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL6794950 0.89 MTNR1A (0.53) MAPTTP53MTNR1AALDH1A1KDM4E
SCHEMBL6795987 0.85 MTNR1A (0.54) MAPTLMNATP53MTNR1AALDH1A1
SCHEMBL6789967 0.85 OPRM1 (0.55) MTNR1ATRPV1HTR1A
SCHEMBL6794807 0.83 MAPT (0.55) MAPTLMNAMTNR1AALDH1A1KDM4E
SCHEMBL6789138 0.83 MTNR1A (0.54) MAPTLMNAMTNR1AALDH1A1TDP1
SCHEMBL6803187 0.82 MTNR1A (0.42) MAPTLMNATP53MTNR1AALDH1A1
SCHEMBL6796760 0.82 MTNR1A (0.53) MAPTMTNR1AALDH1A1KDM4EGAA
SCHEMBL6803625 0.80 MTNR1A (0.47) MAPTLMNAMTNR1AALDH1A1KDM4E
SCHEMBL6792729 0.79 MTNR1A (0.50) MAPTTP53MTNR1AALDH1A1KDM4E
SCHEMBL6790119 0.78 MTNR1A (0.53) MAPTMTNR1AALDH1A1KDM4EKDM4C

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 MAPT 2538/4885LMNA 4611/4885TP53 4419/4885

“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.