SCHEMBL6801840

SCHEMBL6801840

Nc1ccc2c(c1)C(CN1CCN(c3ccc(Cl)cc3)CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
DRD4 P21917 7/20 0.48
DRD3 P35462 4/20 0.41
DRD1 P21728 2/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
GFER P55789 1/20 0.40
HTR7 P34969 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6795583 0.88 MAPT (0.53) DRD2DRD4DRD3DRD1MAPT
SCHEMBL6793757 0.88 MAPT (0.50) DRD2DRD4DRD3DRD1MAPT
SCHEMBL6792978 0.87 ALDH1A1 (0.53) DRD2DRD4MAPTSMN1; SMN2LMNA
SCHEMBL6795496 0.83 DRD2 (0.48) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL6801822 0.81 DRD2 (0.47) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL8436363 0.80 HTR6 (0.39) DRD1ALDH1A1
SCHEMBL6796177 0.79 SIGMAR1 (0.41) DRD2DRD4DRD3SIGMAR1HTR7
SCHEMBL6795987 0.78 MTNR1A (0.54) DRD2DRD4MAPTSMN1; SMN2LMNA
SCHEMBL6796388 0.75 DRD2 (0.67) DRD2DRD4SIGMAR1
SCHEMBL6796534 0.75 SCD (0.38) DRD2HTR7

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 DRD2 7/4885DRD4 26/4885DRD3 10/4885

“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.