SCHEMBL6795438

SCHEMBL6795438

CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccccn3)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.53
DRD3 P35462 6/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR7 P34969 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MTNR1A P48039 1/20 0.52
DRD4 P21917 6/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
GFER P55789 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6793364 0.90 MTNR1A (0.53) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL6790143 0.84 MTNR1A (0.53) DRD2DRD3HTR1AMTNR1ADRD4
SCHEMBL6796760 0.83 MTNR1A (0.53) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL6794807 0.82 MAPT (0.55) HTR1AHTR7ALDH1A1MTNR1ALMNA
SCHEMBL8432255 0.81 MTNR1A (0.62) ALDH1A1MTNR1ALMNAMEN1KMT2A
SCHEMBL6795987 0.81 MTNR1A (0.54) DRD2HTR1AALDH1A1MTNR1ADRD4
SCHEMBL6789138 0.81 MTNR1A (0.54) HTR1AALDH1A1MTNR1ADRD4LMNA
SCHEMBL6802263 0.81 DRD2 (0.55) DRD2HTR1AHTR2AHTR2CHTR7
SCHEMBL6790119 0.80 MTNR1A (0.53) HTR1AALDH1A1MTNR1AMEN1KMT2A
SCHEMBL6794950 0.80 MTNR1A (0.53) HTR1AALDH1A1MTNR1ATHRBNPSR1

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 DRD2 7/4885DRD3 10/4885HTR1A 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.