SCHEMBL6796741

SCHEMBL6796741

O=C(Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
MCHR1 Q99705 3/20 0.44
KMT2A Q03164 3/20 0.41
MTNR1A P48039 1/20 0.41
NAMPT P43490 3/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CCR3 P51677 1/20 0.39
PTPN1 P18031 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SSTR5 P35346 1/20 0.39
TSHR P16473 1/20 0.39
HTR1D P28221 1/20 0.38
F10 P00742 1/20 0.38
OGA O60502 1/20 0.38

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
SCHEMBL6792744 0.97 RORC (0.45) RORCMCHR1MTNR1ANAMPTMAPT
SCHEMBL6790012 0.90 NPC1 (0.46) MCHR1MTNR1ANAMPTMAPTCCR3
SCHEMBL6789667 0.89 MTNR1A (0.53) MCHR1MTNR1ANAMPTMAPTRAB9A
SCHEMBL6795413 0.89 MTNR1A (0.41) MCHR1MTNR1ANAMPTMAPTRAB9A
SCHEMBL6795436 0.87 MTNR1A (0.42) MCHR1MTNR1ANAMPTMAPTRAB9A
SCHEMBL6802341 0.87 MCHR1 (0.51) MCHR1KMT2ANAMPTMAPTRAB9A
SCHEMBL6792004 0.87 JAK2 (0.42) MCHR1MTNR1ANAMPTMAPTRAB9A
SCHEMBL6789148 0.86 ALDH1A1 (0.42) MCHR1KMT2AMTNR1ANAMPTMEN1
SCHEMBL6790682 0.85 DRD2 (0.41) MCHR1KMT2AMTNR1ANAMPTMEN1
SCHEMBL6795602 0.84 JAK2 (0.38) MCHR1NAMPT

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 RORC 1671/4885MCHR1 92/4885KMT2A 1470/4885

“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.