SCHEMBL18159802

SCHEMBL18159802

O=C1COC[C@H](c2cccc(C(F)(F)F)c2)N1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR2C P28335 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PBRM1 Q86U86 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
GUSB P08236 1/20 0.41
TACR1 P25103 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL18150715 1.00 HTR1A (0.46) HTR1AHTR2CMRGPRX4PBRM1HTR2A
SCHEMBL1464007 0.81 CYP19A1 (0.42) PIK3C3KDM4EMAPK1
SCHEMBL430644 0.81 CYP19A1 (0.42) PIK3C3KDM4EMAPK1
SCHEMBL3584547 0.81 CYP19A1 (0.42) PIK3C3KDM4EMAPK1
SCHEMBL29144910 0.80 HTR1A (0.48) HTR1AHTR2CMRGPRX4PBRM1HTR2A
SCHEMBL3584104 0.80 HTR1A (0.48) HTR1AHTR2CMRGPRX4PBRM1HTR2A
SCHEMBL3584299 0.80 HTR1A (0.48) HTR1AHTR2CMRGPRX4PBRM1HTR2A
SCHEMBL18150832 0.78 MDM2 (0.44) ALDH1A1MAPK1
SCHEMBL3600762 0.78 HTR2C (0.51) HTR1AHTR2CMRGPRX4PBRM1HTR2A
SCHEMBL30640419 0.78 HTR2C (0.51) HTR1AHTR2CMRGPRX4PBRM1HTR2A

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-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HTR1A 1348/4885HTR2C 1229/4885MRGPRX4 471/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 HTR1A 1348/4885HTR2C 1229/4885MRGPRX4 471/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HTR1A 1348/4885HTR2C 1229/4885MRGPRX4 471/4885

“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.