SCHEMBL3753306

SCHEMBL3753306

Cc1nc(N(C)C)ccc1N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
NCF1 P14598 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
ABCB11 O95342 1/20 0.34
NR3C1 P04150 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
CCR2 P41597 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMPD3 Q9NY59 2/20 0.33

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
SCHEMBL2698392 0.77 ALDH1A1 (0.38) ALDH1A1POLBCYP1A2CYP3A4ABCB11
SCHEMBL21597758 0.74 ALDH1A1 (0.36) ALDH1A1POLBCYP1A2CYP3A4ABCB11
SCHEMBL21597423 0.74 ALDH1A1 (0.36) ALDH1A1POLBCYP1A2CYP3A4ABCB11
SCHEMBL27415296 0.73 EGLN2 (0.35) ALDH1A1POLBCYP1A2CYP3A4ABCB11
SCHEMBL3671439 0.71 APLNR (0.44) ALDH1A1POLBCYP1A2CYP3A4ABCB11
SCHEMBL21597585 0.70 KDM4E (0.36) ALDH1A1CYP1A2CYP3A4ABCB11NR3C1
SCHEMBL12093314 0.68 NOS3 (0.46) ALDH1A1NCF1CYP1A2CYP3A4HPGD
SCHEMBL331207 0.67 ALDH1A1 (0.41) ALDH1A1POLBCYP1A2CYP3A4ABCB11
SCHEMBL3760366 0.67 ALDH1A1 (0.33) ALDH1A1POLBCYP1A2CYP3A4HSD17B10
SCHEMBL2889749 0.66 P2RY6 (0.38) ALDH1A1POLBHSD17B10APLNR

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-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US 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 (2 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 ALDH1A1 2741/4885POLB 4669/4885NCF1 1555/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885POLB 4699/4885NCF1 930/4885

“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.