SCHEMBL14799311

SCHEMBL14799311

Clc1cccc(Cl)c1OCCNC1CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.46
▸ ADRA1D P25100 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ OPRL1 P41146 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3861777 0.81 ALDH1A1 (0.59) HTR1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL21899044 0.73 KMT2A (0.50) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL10880530 0.70 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL10917064 0.70 HTR1B (0.51) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL12204779 0.70 ALDH1A1 (0.61) HTR1AKDM4EALDH1A1KMT2AMEN1
SCHEMBL11563694 0.70 ALDH1A1 (0.46) KDM4EALDH1A1HTTCYP1A2CYP2D6
SCHEMBL5562380 0.70 HTT (0.81) KDM4EALDH1A1GLAHTTNPSR1
SCHEMBL15346470 0.70 HTR1A (0.59) HTR1AKDM4EALDH1A1HTTKMT2A
SCHEMBL15346467 0.70 HTR1A (0.59) HTR1AKDM4EALDH1A1HTTKMT2A
SCHEMBL29168106 0.69 TAAR1 (0.50) KDM4EALDH1A1GLAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999956-B2 N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 — — US disclosed
EP-2576517-B1 N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER IP GMBH (DE) 2014-12-17 — — EP disclosed
EP-2576517-A1 N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES Bayer Cropscience AG (DE) 2013-04-10 — — EP disclosed
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 — — US disclosed
WO-2011151370-A1 N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 — — 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 (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-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 HTR1A 1614/4885ADRA1D 4113/4885ADRA1A 4164/4885

“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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