SCHEMBL3665717

SCHEMBL3665717

COC(=O)CC(O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
CTSD P07339 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
KCNMA1 Q12791 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3666022 0.80 GPR35 (0.43) ALDH1A1TSHRCTSDGLAMEN1
SCHEMBL3668428 0.77 MAPT (0.38) ALDH1A1TNFMAPT
SCHEMBL3638259 0.76 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL31180668 0.71 LMNA (0.43) ALDH1A1LMNASMN1; SMN2TSHRMAPT
SCHEMBL4657688 0.71 POLB (0.49) ALDH1A1SMN1; SMN2TSHRHPGDPOLB
SCHEMBL4606975 0.71 MAPT (0.49) ALDH1A1SMN1; SMN2TSHRCTSDMAPT
SCHEMBL1058323 0.71 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TSHRCTSDMAPT
SCHEMBL3592533 0.70 LMNA (0.57) ALDH1A1LMNASMN1; SMN2TSHRMAPT
SCHEMBL1820526 0.70 TSHR (0.56) ALDH1A1LMNASMN1; SMN2TSHRCTSD
SCHEMBL7913797 0.70 PDGFRB (0.48) ALDH1A1LMNASMN1; SMN2TSHRCTSD

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
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
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO 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 2741/4885LMNA 3682/4885TNF 4681/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885LMNA 4180/4885TNF 2089/4885

“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.