SCHEMBL6795501

SCHEMBL6795501

CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3c[nH]c4cc(Cl)ccc34)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.53
HTR1B P28222 10/20 0.53
HTR1A P08908 2/20 0.53
HTR1F P30939 2/20 0.53
MTNR1A P48039 1/20 0.46
CCR2 P41597 2/20 0.42
APP P05067 2/20 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
Oxalic Acid SCHEMBL6801356 0.98 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL7220850 0.85 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL6907469 0.85 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL6796075 0.85 HTR1D (0.60) HTR1DHTR1BHTR1AHTR1F
SCHEMBL6794901 0.83 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6795113 0.83 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6795296 0.83 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6795203 0.83 MTNR1A (0.46) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL6796026 0.83 HTR1D (0.48) HTR1DHTR1AHTR1FMTNR1A
SCHEMBL6796369 0.82 OPRM1 (0.46) HTR1DHTR1BCCR2APP

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 5 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

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 HTR1D 4/4885HTR1B 32/4885HTR1A 18/4885

“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.