SCHEMBL2925802

SCHEMBL2925802

Fc1cc(N2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.80
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3A P46098 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
HTR2C P28335 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HTR1D P28221 1/20 0.61
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
FFAR4 Q5NUL3 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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 SCHEMBL18245017 0.98 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2273336 0.98 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1914919 0.89 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL30955834 0.87 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24123762 0.85 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3045513 0.83 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4907383 0.82 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5340202 0.81 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10104274 0.81 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3308233 0.81 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
CN-109641915-B Novel 4- (aryl) -N- (3-alkoxyfuro [2,3-B ] pyrazin-2-yl) -piperazine-1-carboxamide derivatives and their antiproliferative effect LSK新药开发有限公司 2021-05-28 CN disclosed
EP-3470417-B1 NOVEL 4-(ARYL)-N-(3-ALKOXYFURO[2,3-B]PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVE AND ANTIPROLIFERATIVE EFFECT THEREOF LSK NRDO CO LTD (KR) 2020-11-25 EP disclosed
US-10800788-B2 4-(aryl)-N-(3-alkoxyfuro[2,3-b]pyrazin-2-yl)-piperazine-1-carboxamide derivative and antiproliferative effect thereof LSK NRDO CO., LTD. (KR) 2020-10-13 US disclosed
US-20190337959-A1 Novel 4-(Aryl)-N-(3-Alkoxyfuro[2,3-b]pyrazin-2-yl)-Piperazine-1-Carboxamide Derivative and Antiproliferative Effect Thereof HLB LIFE SCIENCE R&D CO., LTD. (KR) 2019-11-07 US disclosed
EP-3231800-B1 NOVEL 4-(ARYL)-N-(2-ALKOXYTHIENO[3,2-B]PYRAZIN-3-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVE, AND ANTIPROLIFERATIVE EFFECT THEREOF LSK NRDO CO LTD (KR) 2019-08-14 EP disclosed
EP-3470417-A1 NOVEL 4-(ARYL)-N-(3-ALKOXYFURO[2,3-B]PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVE AND ANTIPROLIFERATIVE EFFECT THEREOF Dongguk University Industry-Academic Cooperation Foundation (KR) 2019-04-17 EP disclosed
CN-109641915-A Novel 4- (aryl)-N- (3- alkoxy furans simultaneously [2,3-B] pyrazine -2- base)-piperazine -1- carboxamides derivatives and its antiproliferative effect 东国大学校产学协力团 2019-04-16 CN disclosed
US-10059721-B2 Substituted thieno[3,2-b]pyrazines for inhibiting cancer cell proliferation and inducing cancer cell apoptosis DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-28 US disclosed
US-20170320890-A1 NOVEL 4-(ARYL)-N-(2-ALKOXYTHIENO[3,2-B]PYRAZIN-3-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVE, AND ANTIPROLIFERATIVE EFFECT THEREOF HLB LIFE SCIENCE R&D CO., LTD. (KR) 2017-11-09 US disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
CN-1105707-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2003-04-16 CN disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed
CN-1251578-A Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2000-04-26 CN 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-20190337959-A1 Novel 4-(Aryl)-N-(3-Alkoxyfuro[2,3-b]pyrazin-2-yl)-Piperazine-1-Carboxamide Derivative and Antiproliferative Effect Thereof MKI67, API5, CCAR2 ADRB1 991/4885HTR3E 2093/4885HTR3B 1765/4885
US-10059721-B2 Substituted thieno[3,2-b]pyrazines for inhibiting cancer cell proliferation and inducing cancer cell apoptosis API5, CASP3, BCL2 ADRB1 1167/4885HTR3E 897/4885HTR3B 779/4885
US-10800788-B2 4-(aryl)-N-(3-alkoxyfuro[2,3-b]pyrazin-2-yl)-piperazine-1-carboxamide derivative and antiproliferative effect thereof MKI67, AADAC, API5 ADRB1 1019/4885HTR3E 2347/4885HTR3B 2072/4885
US-20170320890-A1 NOVEL 4-(ARYL)-N-(2-ALKOXYTHIENO[3,2-B]PYRAZIN-3-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVE, AND ANTIPROLIFERATIVE EFFECT THEREOF MKI67, CDK4, CDK2 ADRB1 570/4885HTR3E 1461/4885HTR3B 1169/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 ADRB1 100/4885HTR3E 86/4885HTR3B 24/4885

“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.