SCHEMBL6793364

SCHEMBL6793364

CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ncccn3)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
DRD2 P14416 5/20 0.52
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
RAD52 P43351 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HTR1A P08908 3/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL6795438 0.90 DRD2 (0.53) MTNR1ADRD2ALDH1A1LMNAKDM4E
SCHEMBL6790143 0.86 MTNR1A (0.53) MTNR1ADRD2LMNADRD4DRD3
SCHEMBL6794807 0.83 MAPT (0.55) MTNR1AALDH1A1LMNAKDM4ETSHR
SCHEMBL6796760 0.83 MTNR1A (0.53) MTNR1ADRD2ALDH1A1KDM4EDRD3
SCHEMBL8432255 0.83 MTNR1A (0.62) MTNR1AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6789138 0.83 MTNR1A (0.54) MTNR1AALDH1A1LMNADRD4TSHR
SCHEMBL6795987 0.83 MTNR1A (0.54) MTNR1ADRD2ALDH1A1LMNAKDM4E
SCHEMBL6794950 0.81 MTNR1A (0.53) MTNR1AALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL6790119 0.81 MTNR1A (0.53) MTNR1AALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL6802263 0.81 DRD2 (0.55) MTNR1ADRD2ALDH1A1KDM4EDRD4

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 MTNR1A 91/4885DRD2 7/4885ALDH1A1 1059/4885

“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.