SCHEMBL3000804

SCHEMBL3000804

Clc1cccc(OC2CNC2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A3 Q01959 2/20 0.61
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
HTR6 P50406 2/20 0.51

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
Hydrochloric Acid SCHEMBL29120052 0.98 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL30690941 0.98 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23830720 0.86 HTR2C (0.71) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23830722 0.86 HTR2C (0.71) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL22278141 0.84 CHRNB2 (0.65) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL2091721 0.84 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL22265522 0.82 CHRNB2 (0.63) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL29994691 0.82 HRH1 (0.62) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL2300978 0.82 HRH1 (0.62) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL2284411 0.81 SLC6A4 (0.81) SLC6A4HTR2CHTR2BHTR6

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
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
CN-102292340-B Amino-heterocyclic compounds used as pde9 inhibitors PFIZER 2015-05-06 CN disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
CN-102292340-A Amino-heterocyclic compounds used as PDE9 inhibitors 2011-12-21 CN disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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 (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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A SLC6A4 1548/4885SLC6A2 1268/4885SLC6A3 375/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A SLC6A4 640/4885SLC6A2 411/4885SLC6A3 122/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I SLC6A4 502/4885SLC6A2 475/4885SLC6A3 1199/4885
US-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 SLC6A4 4608/4885SLC6A2 4844/4885SLC6A3 4703/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A SLC6A4 640/4885SLC6A2 411/4885SLC6A3 122/4885

“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.