SCHEMBL6801822

SCHEMBL6801822

Nc1ccc2c(c1)C(CN1CCN(c3ccc4c(c3)OCO4)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 3/20 0.47
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 2/20 0.41
DRD4 P21917 2/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 2/20 0.38
MAPK1 P28482 2/20 0.38
CMA1 P23946 1/20 0.36
ADRA2B P18089 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6977453 0.87 DRD2 (0.47) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL6960133 0.85 DRD2 (0.58) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL6795583 0.81 MAPT (0.53) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6793757 0.81 MAPT (0.50) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL6801840 0.81 DRD2 (0.48) DRD2DRD3SIGMAR1KDM4EDRD4
SCHEMBL6792729 0.80 MTNR1A (0.50) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL6794641 0.79 SMN1; SMN2 (0.46) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL6792978 0.78 ALDH1A1 (0.53) DRD2HTR1ASIGMAR1DRD4MAPT
SCHEMBL6795496 0.76 DRD2 (0.48) DRD2DRD3HTR1AKDM4EDRD4
SCHEMBL6974927 0.76 DRD2 (0.49) DRD2DRD3HTR1AADRA2AADRA2C

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 7/4885DRD3 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.