SCHEMBL900166

SCHEMBL900166

COc1cc(N2CCNCC2)cc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.62
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
CHRNB2 P17787 5/20 0.53
CHRNA4 P43681 5/20 0.53
HTR1A P08908 2/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR7 P34969 1/20 0.45
TGFBR1 P36897 1/20 0.44
ADRB2 P07550 1/20 0.44
NCF1 P14598 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
SCHEMBL23560783 0.90 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5988646 0.81 HTR2C (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15114940 0.80 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL443521 0.77 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27475993 0.76 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9014698 0.76 ALDH1A1 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2084347 0.76 CASP1 (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL18577062 0.76 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30124235 0.75 CASP1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7404229 0.75 ADRB1 (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 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 (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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS ADRB1 2373/4885HTR3E 2433/4885HTR3B 2704/4885

“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.