SCHEMBL4255349

SCHEMBL4255349

CCNN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRB1 P08588 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2D6 P10635 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL8957641 0.88 KCNH2 (0.52) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11100857 0.81 ALDH1A1 (0.75) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL6714846 0.81 ALDH1A1 (0.75) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4252810 0.80 CHRNA7 (0.58) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL10294634 0.79 KCNH2 (0.69) KCNH2SIGMAR1
SCHEMBL1384498 0.76 KCNH2 (0.65) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8467046 0.76 KCNH2 (0.74) KCNH2HTR1AHTR7SIGMAR1
SCHEMBL30764776 0.76 KCNH2 (0.74) KCNH2HTR1AHTR7SIGMAR1
SCHEMBL20886901 0.76 MEN1 (0.58) KCNH2MAPTSMN1; SMN2
SCHEMBL9646111 0.76 ALDH1A1 (0.73) KCNH2HTR3EHTR3BHTR3AHTR3D

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP disclosed
EP-0343961-B1 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PROD (US) 1996-01-10 EP disclosed
US-5482940-A OBESITY, ALCOHOLISM AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5380725-A Antipsychotic agents and anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed
US-5278160-A Treating aggressive behavior AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-11 US disclosed
US-5254552-A Cognition activators, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-19 US disclosed
US-5106849-A Treating anxiety, depression, psychoses AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
US-5010078-A Anxiolytic, antidepressant agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-04-23 US disclosed
EP-0343961-A2 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-29 EP 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 (1 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H KCNH2 31/4885HTR3E 3752/4885HTR3B 1896/4885

“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.