SCHEMBL5584891

SCHEMBL5584891

COc1ccc(C2CCNCC2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.59
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
HTR6 P50406 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL6159023 0.88 MEN1 (0.52) HTR2CSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6872023 0.88 PROKR1 (0.44) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL2707057 0.83 HTR2C (0.63) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL3139821 0.83 PTGDR2 (0.50) HTR2CMEN1KMT2ACHRNA7
SCHEMBL1529068 0.82 HTR2C (0.58) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22324792 0.82 HTR2C (0.58) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL16446427 0.81 HTR2A (0.59) HTR2CHTR6MEN1KMT2A
SCHEMBL3542232 0.81 HTR2C (0.47) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL24954120 0.81 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL15000426 0.80 HTR2C (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 US disclosed
EP-3092224-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-22 EP disclosed
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20180000807-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
EP-3092224-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2016-11-16 EP disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US 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 (12 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 HTR2C 9/4885HTR3E 22/4885HTR3B 15/4885
US-20180000807-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885HTR3E 22/4885HTR3B 15/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HTR2C 94/4885HTR3E 377/4885HTR3B 148/4885

“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.