SCHEMBL3671443

SCHEMBL3671443

O=C1C[C@H](c2ccccc2)c2ccc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
CYP19A1 P11511 1/20 0.52
EEF2K O00418 1/20 0.46
AR P10275 1/20 0.45
ALDH1A1 P00352 2/20 0.42
ALDH2 P05091 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.41
S100A4 P26447 1/20 0.41
TRPM4 Q8TD43 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PIM1 P11309 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL3671445 1.00 KDM4E (0.55) KDM4ECYP19A1EEF2KARALDH1A1
SCHEMBL3676809 1.00 KDM4E (0.55) KDM4ECYP19A1EEF2KARALDH1A1
SCHEMBL29608352 1.00 KDM4E (0.55) KDM4ECYP19A1EEF2KARALDH1A1
SCHEMBL5612911 0.87 KDM4E (0.55) KDM4ECYP19A1EEF2KARALDH1A1
SCHEMBL5709390 0.86 THRB (0.49) KDM4ECYP19A1ALDH1A1ALDH2LMNA
SCHEMBL5709373 0.81 SLC6A2 (0.39) KDM4ECYP19A1ARHTTLMNA
SCHEMBL14244628 0.81 HTR1A (0.39) KDM4ECYP19A1ARALDH1A1SIGMAR1
SCHEMBL29606711 0.81 HTR1A (0.39) KDM4ECYP19A1ARALDH1A1SIGMAR1
SCHEMBL14244391 0.81 HTR1A (0.39) KDM4ECYP19A1ARALDH1A1SIGMAR1
SCHEMBL6001645 0.81 RAB9A (0.49) KDM4EEEF2KALDH1A1HTTLMNA

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
EP-2639216-B1 HALOGENATED INDENONES AND METHOD FOR PRODUCING OPTICALLY ACTIVE INDANONES OR OPTICALLY ACTIVE INDANOLS BY USING SAME KANEKA CORP (JP) 2018-07-11 EP disclosed
US-8569499-B2 Process for making trans-1-((1R,3S)-6-chloro-3-phenylindan-1-yl)-3,3-dimethylpiperazine H. LUNDBECK A/S (DK) 2013-10-29 US disclosed
US-8569499-B2 Process for making trans-1-((1R,3S)-6-chloro-3-phenylindan-1-yl)-3,3-dimethylpiperazine H. LUNDBECK A/S (DK) 2013-10-29 US disclosed
US-8569499-B2 Process for making trans-1-((1R,3S)-6-chloro-3-phenylindan-1-yl)-3,3-dimethylpiperazine H. LUNDBECK A/S (DK) 2013-10-29 US disclosed
EP-2639216-A1 HALOGENATED INDENONES AND METHOD FOR PRODUCING OPTICALLY ACTIVE INDANONES OR OPTICALLY ACTIVE INDANOLS BY USING SAME Kaneka Corporation (JP) 2013-09-18 EP disclosed
CN-101137632-B Process for the preparation of trans-1- ((1R,3S) -6-chloro-3-phenylindan-1-yl) -3, 3-dimethylpiperazine LUNDBECK & CO AS H 2013-06-19 CN disclosed
US-20100069676-A1 PROCESS FOR MAKING TRANS-1-((1R,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3,3-DIMETHYLPIPERAZINE H. LUNDBECK A/S (DK) 2010-03-18 US disclosed
US-20100069676-A1 PROCESS FOR MAKING TRANS-1-((1R,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3,3-DIMETHYLPIPERAZINE H. LUNDBECK A/S (DK) 2010-03-18 US disclosed
US-20100069676-A1 PROCESS FOR MAKING TRANS-1-((1R,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3,3-DIMETHYLPIPERAZINE H. LUNDBECK A/S (DK) 2010-03-18 US disclosed
US-20080153847-A1 2,2-Dimethylpiperazine derivative is reacted with 6-chloro-3-phenyl-indan-1-ol or 6-chloro-3-phenylindan-1-one; salt formation, precipitation, resolution, crystallization, amination, immobilization, catalysis; schizophrenia, psychoses, drug abuse, alcoholism; anxiolytic and antidepressants H. LUNDBECK A/S (DK) 2008-06-26 US disclosed
US-20080153847-A1 2,2-Dimethylpiperazine derivative is reacted with 6-chloro-3-phenyl-indan-1-ol or 6-chloro-3-phenylindan-1-one; salt formation, precipitation, resolution, crystallization, amination, immobilization, catalysis; schizophrenia, psychoses, drug abuse, alcoholism; anxiolytic and antidepressants H. LUNDBECK A/S (DK) 2008-06-26 US disclosed
US-20080153847-A1 2,2-Dimethylpiperazine derivative is reacted with 6-chloro-3-phenyl-indan-1-ol or 6-chloro-3-phenylindan-1-one; salt formation, precipitation, resolution, crystallization, amination, immobilization, catalysis; schizophrenia, psychoses, drug abuse, alcoholism; anxiolytic and antidepressants H. LUNDBECK A/S (DK) 2008-06-26 US disclosed
CN-101137632-A Process for the preparation of trans-1- ((1R,3S) -6-chloro-3-phenylindan-1-yl) -3, 3-dimethylpiperazine LUNDBECK & CO AS H (DK) 2008-03-05 CN disclosed
EP-1853574-A1 PROCESS FOR MAKING TRANS-1-((1R,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3,3-DIMETHYLPIPERAZINE H. Lundbeck A/S (DK) 2007-11-14 EP disclosed
WO-2006086984-A1 PROCESS FOR MAKING TRANS-1-((1R, 3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3, 3-DIMETHYLPIPERAZINE H. LUNDBECK A/S (DK) 2006-08-24 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 (2 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-20100069676-A1 PROCESS FOR MAKING TRANS-1-((1R,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3,3-DIMETHYLPIPERAZINE CYP4Z1, CYP4F3, CYP1A1 KDM4E 1119/4885CYP19A1 85/4885EEF2K 2381/4885
US-20080153847-A1 2,2-Dimethylpiperazine derivative is reacted with 6-chloro-3-phenyl-indan-1-ol or 6-chloro-3-phenylindan-1-one; salt formation, precipitation, resolution, crystallization, amination, immobilization, catalysis; schizophrenia, psychoses, drug abuse, alcoholism; anxiolytic and antidepressants ADH1A, ADH1C, ADH5 KDM4E 1117/4885CYP19A1 660/4885EEF2K 2273/4885

“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.