SCHEMBL6802263

SCHEMBL6802263

COc1ccccc1N1CCN(CC2CCc3ccc(NC(C)=O)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
HTR2C P28335 5/20 0.51
HTR1A P08908 3/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
MTNR1A P48039 1/20 0.50
DRD4 P21917 3/20 0.49
HTR2A P28223 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL6796760 0.88 MTNR1A (0.53) DRD2HTR2CHTR1AHTR1DHTR1B
SCHEMBL6789138 0.82 MTNR1A (0.54) HTR1AMTNR1ADRD4ALDH1A1TSHR
SCHEMBL6796388 0.81 DRD2 (0.67) DRD2HTR2CDRD4HTR2ASIGMAR1
SCHEMBL6795438 0.81 DRD2 (0.53) DRD2HTR2CHTR1AMTNR1ADRD4
SCHEMBL6793364 0.81 MTNR1A (0.53) DRD2HTR2CHTR1AMTNR1ADRD4
SCHEMBL6794807 0.80 MAPT (0.55) HTR1AMTNR1AALDH1A1SIGMAR1TSHR
SCHEMBL8432255 0.80 MTNR1A (0.62) MTNR1AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6795987 0.80 MTNR1A (0.54) DRD2HTR1AMTNR1ADRD4ALDH1A1
SCHEMBL6844340 0.80 MTNR1A (0.50) DRD2HTR1AMTNR1AHTR2AHTT
SCHEMBL6790119 0.78 MTNR1A (0.53) HTR1AMTNR1AALDH1A1HTTKDM4E

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 7/4885HTR2C 8/4885HTR1A 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.