SCHEMBL5584666

SCHEMBL5584666

CNc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NAMPT P43490 3/20 0.37
CCR5 P51681 2/20 0.37
SLC18A3 Q16572 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR7 P34969 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
MTNR1A P48039 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6795602 0.90 JAK2 (0.38) MCHR1ESR1ESR2NAMPTCCR5
SCHEMBL6799809 0.87 CCR5 (0.41) MCHR1ESR1ESR2NAMPTCCR5
SCHEMBL6795436 0.87 MTNR1A (0.42) MCHR1NAMPTCCR5DRD2DRD3
SCHEMBL6789046 0.87 ALDH1A1 (0.39) MCHR1ESR1ESR2NAMPTCCR5
SCHEMBL6789667 0.86 MTNR1A (0.53) MCHR1NAMPTSLC18A3HTR1AMTNR1A
SCHEMBL6795440 0.86 MCHR1 (0.37) MCHR1ESR1ESR2NAMPTCCR5
SCHEMBL6790012 0.85 NPC1 (0.46) MCHR1NAMPTDRD2DRD3MTNR1A
SCHEMBL6795413 0.84 MTNR1A (0.41) MCHR1NAMPTDRD2DRD3MTNR1A
SCHEMBL6793800 0.84 JAK2 (0.39) MCHR1ESR1ESR2NAMPTOPRM1
SCHEMBL6792004 0.84 JAK2 (0.42) MCHR1ESR1ESR2NAMPTCCR5

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
CN-1164574-C Phenoxypropylamine compounds ������ҩ��ʽ���� 2004-09-01 CN disclosed
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 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-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 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
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (3 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A MCHR1 79/4885ESR1 2569/4885ESR2 2710/4885
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 MCHR1 92/4885ESR1 2598/4885ESR2 1100/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A MCHR1 79/4885ESR1 2569/4885ESR2 2710/4885

“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.