SCHEMBL420087

SCHEMBL420087

CN1CCN(c2cnc(Br)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.49
HTR3A P46098 5/20 0.49
HRH3 Q9Y5N1 2/20 0.42
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
MET P08581 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
SCHEMBL421586 0.82 CHRNB2 (0.41)
SCHEMBL12159758 0.80 HRH3 (0.43) HRH3
SCHEMBL3708309 0.80 HTR3A (0.35) HRH4HTR3AHRH3
SCHEMBL19482437 0.80 MAPT (0.42)
SCHEMBL81828 0.80 HTR3A (0.52) HRH4HTR3AHRH3HTR3EHTR3B
SCHEMBL27456510 0.78 PTPN11 (0.38)
SCHEMBL14307821 0.78 MAPT (0.48)
SCHEMBL5717460 0.78 LMNA (0.50)
SCHEMBL1432508 0.78 CKS1B (0.51) MET
SCHEMBL6921320 0.77 PIM1 (0.44)

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
WO-2019233883-A1 TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES AC IMMUNE SA (CH) 2019-12-12 WO disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
CN-101432278-A Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2009-05-13 CN disclosed
EP-2010525-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-07 EP 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
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
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-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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 (6 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B HRH4 3085/4885HTR3A 3007/4885HRH3 2947/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 HRH4 3623/4885HTR3A 3037/4885HRH3 3401/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HRH4 2649/4885HTR3A 2224/4885HRH3 3014/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA HRH4 565/4885HTR3A 4110/4885HRH3 809/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HRH4 2649/4885HTR3A 2224/4885HRH3 3014/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL HRH4 911/4885HTR3A 2158/4885HRH3 1485/4885

“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.