SCHEMBL8339191

SCHEMBL8339191

Cc1cc(N2CCNCC2)nnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.53
ADRB1 P08588 3/20 0.48
NCF1 P14598 1/20 0.48
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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 SCHEMBL8327953 0.98 BPTF (0.51) BPTFADRB1NCF1CHRNB2CHRNA4
SCHEMBL9310525 0.94 BPTF (0.47) BPTFADRB1NCF1CHRNB2CHRNA4
SCHEMBL8339762 0.87 TRPV1 (0.43) BPTFHTR3EHTR3BHTR3AHTR3D
SCHEMBL3714117 0.80 TRPV1 (0.46) CHRNB2CHRNA4ALDH1A1HRH4
SCHEMBL2743005 0.80 TRPV1 (0.46) CHRNB2CHRNA4ALDH1A1HRH4
SCHEMBL1073052 0.79 KMT2A (0.51) ALDH1A1CYP1A2KDM4EMEN1CYP3A4
SCHEMBL13407136 0.76 SMO (0.41)
SCHEMBL13407139 0.75 TRPV1 (0.36) ALDH1A1HTR3AKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL25311811 0.73 CHRNB2 (0.53) BPTFADRB1NCF1CHRNB2CHRNA4
SCHEMBL9492534 0.73 BPTF (0.46) BPTFADRB1CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 WO disclosed
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0211457-A2 Novel (4-substituted-piperazinyl)pyridazines JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-25 EP disclosed
CN-86105558-A The preparation method of new (4-replaces-piperazinyl) pyridazine class 1987-01-28 CN disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 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-20080200472-A1 Therapeutic agents useful for treating pain HRH2, OPRL1, TRPV1 BPTF 2373/4885ADRB1 151/4885NCF1 1026/4885

“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.