SCHEMBL5353000

SCHEMBL5353000

C=CCc1cncc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
IMPDH2 P12268 1/20 0.41
PRKCZ Q05513 1/20 0.39
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL4820933 0.81 CYP11B2 (0.44) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL4022156 0.79 IMPDH2 (0.54) IMPDH2PRKCZCYP1A2CYP3A4CYP2D6
SCHEMBL27594231 0.79 CYP11B1 (0.42) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL3822233 0.79 CYP11B2 (0.47) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL9572666 0.79 CYP11B2 (0.47) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL25106 0.76 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19GABRA1
SCHEMBL2258454 0.76 CYP11B1 (0.49) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL30083984 0.76 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19GABRA1
SCHEMBL10459288 0.76 CYP11B1 (0.40) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL11786564 0.76 IMPDH2 (0.36) IMPDH2

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
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 US disclosed
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US disclosed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US disclosed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US disclosed
US-6759411-B2 ANTIHISTAMINES, ANTIALLERGENS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (5 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX CYP11B1 190/4885CYP11B2 194/4885IMPDH2 3780/4885
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CYP11B1 642/4885CYP11B2 712/4885IMPDH2 1934/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CYP11B1 642/4885CYP11B2 712/4885IMPDH2 1934/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 CYP11B1 823/4885CYP11B2 770/4885IMPDH2 1890/4885
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 CYP11B1 236/4885CYP11B2 203/4885IMPDH2 3893/4885

“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.