SCHEMBL4131362

SCHEMBL4131362

Cn1c2c(c3ccccc31)CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.79
HTR2C P28335 2/20 0.79
KDM4E B2RXH2 1/20 0.77
ALOX15 P16050 1/20 0.77
MAPK1 P28482 1/20 0.77
HSD17B10 Q99714 1/20 0.77
MCHR1 Q99705 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR6 P50406 2/20 0.46
HTR5A P47898 1/20 0.46
GPR3 P46089 1/20 0.44

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
SCHEMBL30704389 1.00 HTR2A (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL31078590 0.98 KDM4E (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL10154860 0.90 HTR2A (0.65) HTR2AHTR2CKDM4EALOX15MAPK1
Pnu-22394 SCHEMBL29388570 0.88 HTR2C (1.00) HTR2AHTR2CKDM4EALOX15MAPK1
Pnu-22394 SCHEMBL5364550 0.88 HTR2C (1.00) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL967629 0.87 HTR2C (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
Pnu-22394 SCHEMBL29779480 0.87 KDM4E (1.00) HTR2AHTR2CKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL30396890 0.85 KDM4E (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL9057430 0.85 KDM4E (0.79) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL30569677 0.80 HTR2A (0.51) HTR2AHTR2CKDM4EALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
EP-3596073-B1 TRICYCLIC COMPOUNDS FOR USE IN TREATMENT OF PROLIFERATIVE DISORDERS. ARGONAUT THERAPEUTICS LTD (GB) 2022-05-11 EP disclosed
EP-3596073-B1 TRICYCLIC COMPOUNDS FOR USE IN TREATMENT OF PROLIFERATIVE DISORDERS. ARGONAUT THERAPEUTICS LTD (GB) 2022-05-11 EP disclosed
US-11274098-B2 Tricyclic compounds for use in treatment of proliferative disorders Argonaut Therapeutics Limited (GB) 2022-03-15 US disclosed
US-20200325132-A1 TRICYCLIC COMPOUNDS FOR USE IN TREATMENT OF PROLIFERATIVE DISORDERS Argonaut Therapeutics Limited (GB) 2020-10-15 US disclosed
US-20200325132-A1 TRICYCLIC COMPOUNDS FOR USE IN TREATMENT OF PROLIFERATIVE DISORDERS Argonaut Therapeutics Limited (GB) 2020-10-15 US disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 US disclosed
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 US disclosed
US-20090023756-A1 SUBSTITUTED QUINAZOLINES AS PDE10 INHIBITORS PFIZER INC 2009-01-22 US disclosed
EP-1996587-A1 SUBSTITUTED QUINAZOLINES AS PDE10 INHIBITORS Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
WO-2007096743-A1 SUBSTITUTED QUINAZOLINES AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-08-30 WO disclosed
EP-1015451-B1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-06-18 EP disclosed
US-6506768-B2 Serotonergic modulators; for treatment of disorders of the central nervous system including psychotic disorders, hypertension and vascular disorders, migraine JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-14 US disclosed
US-20020103209-A1 Tetrahydro gamma-carbolines KENNIS LUDO EDMOND JOSEPHINE (BE) 2002-08-01 US disclosed
US-6303614-B1 FOR THERAPY PSYCHOTIC DISORDER SELECTED FROM DEPRESSION, ANXIETY OR PSYCHOSIS JANSSEN PHARMACEUTICA N.V. (BE) 2001-10-16 US disclosed
EP-1015451-A1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-05 EP disclosed
EP-0905136-A1 Tetrahydro gamma-carbolines JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-31 EP disclosed
WO-1999012926-A1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-18 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 (7 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-20090023756-A1 SUBSTITUTED QUINAZOLINES AS PDE10 INHIBITORS PDE12, PDE5A, PDE10A HTR2A 481/4885HTR2C 487/4885KDM4E 1138/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 HTR2A 2940/4885HTR2C 3749/4885KDM4E 4065/4885
US-11274098-B2 Tricyclic compounds for use in treatment of proliferative disorders PRMT5, HDAC5, CDK15 HTR2A 3699/4885HTR2C 3015/4885KDM4E 243/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B HTR2A 2941/4885HTR2C 3649/4885KDM4E 4066/4885
US-20200325132-A1 TRICYCLIC COMPOUNDS FOR USE IN TREATMENT OF PROLIFERATIVE DISORDERS PRMT5, HDAC5, CDK15 HTR2A 3699/4885HTR2C 3015/4885KDM4E 243/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 HTR2A 2940/4885HTR2C 3749/4885KDM4E 4065/4885
US-20020103209-A1 Tetrahydro gamma-carbolines OPRD1, CYP1B1, CBR1 HTR2A 444/4885HTR2C 94/4885KDM4E 3338/4885

“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.