SCHEMBL7304319

SCHEMBL7304319

Clc1ccc(CCN2CCNCC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.60
▸ MAOB P27338 1/20 0.60
▸ SIGMAR1 Q99720 3/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ SLC6A4 P31645 3/20 0.50
▸ KCNH2 Q12809 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ CYP2A13 Q16696 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ARG1 P05089 1/20 0.45
▸ ARG2 P78540 1/20 0.45
▸ SOS1 Q07889 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ INPPL1 O15357 1/20 0.44
▸ TP53BP1 Q12888 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 SCHEMBL15567041 0.86 SIGMAR1 (0.59) MAOAMAOBSIGMAR1CYP1A2CYP2D6
SCHEMBL593572 0.83 CYP2A13 (0.66) SIGMAR1CYP1A2CYP2D6SLC6A4CYP2A13
Hydrochloric Acid SCHEMBL8948250 0.82 CYP2A13 (0.64) SIGMAR1CYP1A2CYP2D6SLC6A4CYP2A13
SCHEMBL31646416 0.80 KCNH2 (0.74) SIGMAR1CYP1A2CYP2D6SLC6A4KCNH2
SCHEMBL27734023 0.79 KCNJ1 (0.63) SIGMAR1KCNH2KDM4EALDH1A1TDP1
SCHEMBL9387826 0.79 ALDH1A1 (0.45) MAOAMAOBSIGMAR1CYP1A2CYP2D6
SCHEMBL3500303 0.76 SIGMAR1 (0.68) SIGMAR1SLC6A4KCNH2SLC6A2KDM4E
SCHEMBL9386875 0.76 KDM4E (0.45) SIGMAR1CYP1A2CYP2D6SLC6A4KCNH2
Hydrochloric Acid SCHEMBL14486498 0.75 SIGMAR1 (0.66) SIGMAR1SLC6A4KCNH2SLC6A2KDM4E
SCHEMBL9397258 0.74 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2D6SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 — — US disclosed
EP-0580503-B1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR (FR) 1995-06-14 — — EP disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 — — 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 (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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 MAOA 1224/4885MAOB 1199/4885SIGMAR1 251/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 MAOA 1224/4885MAOB 1199/4885SIGMAR1 251/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 MAOA 1224/4885MAOB 1199/4885SIGMAR1 251/4885

“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.

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