SCHEMBL9828566

SCHEMBL9828566

COc1ccc(C2=CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
TMEM97 Q5BJF2 3/20 0.52
HTR1A P08908 2/20 0.52
DRD4 P21917 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3314947 0.86 SIGMAR1 (0.61) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL10640414 0.85 SIGMAR1 (0.52) SIGMAR1DRD4LMNAACHE
SCHEMBL28301591 0.82 DRD4 (0.50) SIGMAR1DRD4DRD3ABCB1ABCC1
SCHEMBL171149 0.81 SIGMAR1 (0.50) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL238334 0.80 MEN1 (0.66) SIGMAR1HTR1ADRD4KMT2AMEN1
SCHEMBL11405511 0.78 BCHE (0.50) SIGMAR1DRD4LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL19066024 0.78 MEN1 (0.65) SIGMAR1HTR1ADRD4KMT2AMEN1
SCHEMBL28873803 0.78 KDM4E (0.59) KMT2ALMNAABCB1ABCC1ABCG2
SCHEMBL11797015 0.77 KDM4E (0.57) SIGMAR1KMT2ALMNAMEN1KDM4E
SCHEMBL28217942 0.76 SIGMAR1 (1.00) SIGMAR1KMT2ALMNAMEN1KDM4E

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 35 patents — showing the first 20. 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-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-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-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
CN-106061961-B Selective N R2B antagonist 百时美施贵宝公司 2018-12-18 CN disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 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
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-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
EP-0200583-B1 7-HYDROXY INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, USE AS MEDICINE, COMPOUNDS CONTAINING THEM AND THEIR INTERMEDIATES ROUSSEL-UCLAF (FR) 1991-06-12 EP disclosed
EP-0200583-A1 7-Hydroxy indole derivatives, process for their preparation, use as medicine, compounds containing them and their intermediates ROUSSEL-UCLAF (FR) 1986-11-05 EP 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 (5 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-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A SIGMAR1 76/4885TMEM97 145/4885HTR1A 147/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A SIGMAR1 76/4885TMEM97 145/4885HTR1A 147/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A SIGMAR1 76/4885TMEM97 145/4885HTR1A 147/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A SIGMAR1 76/4885TMEM97 145/4885HTR1A 147/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A SIGMAR1 76/4885TMEM97 145/4885HTR1A 147/4885

“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.