SCHEMBL296445

SCHEMBL296445

CC(N)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.43
ADRB2 P07550 1/20 0.42
SLC6A4 P31645 1/20 0.40
MPL P40238 3/20 0.39
AR P10275 4/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
AKT1 P31749 2/20 0.35
RPS6KB1 P23443 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2399327 1.00 PDE2A (0.43) PDE2AADRB2SLC6A4MPLAR
SCHEMBL4228847 1.00 PDE2A (0.43) PDE2AADRB2SLC6A4MPLAR
SCHEMBL5019023 1.00 PDE2A (0.43) PDE2AADRB2SLC6A4MPLAR
Hydrochloric Acid SCHEMBL3701319 0.98 PDE2A (0.42) PDE2AADRB2SLC6A4MPLAR
Hydrochloric Acid SCHEMBL26615659 0.98 PDE2A (0.42) PDE2AADRB2SLC6A4MPLAR
SCHEMBL7865718 0.93 PDE2A (0.42) PDE2AADRB2SLC6A4MPLAR
SCHEMBL21153574 0.86 KIF11 (0.45) PDE2AADRB2MPL
SCHEMBL7782591 0.85 ADRB2 (0.42) PDE2AADRB2SLC6A4AKR1C3AKR1C2
SCHEMBL21711983 0.85 KIF11 (0.46) PDE2AAKR1C3AKR1C2
SCHEMBL701610 0.85 KIF11 (0.46) PDE2AAKR1C3AKR1C2

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
WO-2013104577-A1 BENZIMIDAZOLYL-ACETAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS ACESION PHARMA APS (DK) 2013-07-18 WO disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 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 (3 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-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 PDE2A 4494/4885ADRB2 3257/4885SLC6A4 1451/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 PDE2A 485/4885ADRB2 73/4885SLC6A4 94/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 PDE2A 791/4885ADRB2 22/4885SLC6A4 201/4885

“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.