SCHEMBL7962369

SCHEMBL7962369

c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 1.00
KCNH2 Q12809 11/20 1.00
HTR2C P28335 9/20 1.00
DRD2 P14416 6/20 0.58

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
SCHEMBL31060925 1.00 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL28465778 0.90 HTR2A (0.81) HTR2AKCNH2HTR2CDRD2
SCHEMBL11821618 0.85 HTR2A (0.74) HTR2AKCNH2HTR2CDRD2
SCHEMBL8492268 0.83 HTR2A (0.76) HTR2AKCNH2HTR2CDRD2
SCHEMBL8316644 0.82 HTR2C (0.69) HTR2AKCNH2HTR2C
SCHEMBL8525019 0.82 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL7959758 0.80 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL22588189 0.79 HTR2A (0.65) HTR2AKCNH2HTR2C
SCHEMBL31285825 0.79 HTR2A (0.65) HTR2AKCNH2HTR2C
SCHEMBL7967298 0.78 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-6316468-B1 Phenylindole derivatives as 5-HT2A receptor antagonists MERCK SHARP & DOHME LTD. 2001-11-13 US disclosed
WO-1999011641-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1999-03-11 WO disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 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 (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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HTR2A 1280/4885KCNH2 562/4885HTR2C 1590/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HTR2A 1280/4885KCNH2 562/4885HTR2C 1590/4885

“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.