SCHEMBL4145234

SCHEMBL4145234

COc1ccccc1C#Cc1ccc(OC(C)C)c(C(=O)NC(C)(CO)Cc2c[nH]c3ccccc23)c1.COc1ccccc1C#Cc1ccc(OC(C)C)c(C(=O)NC(C)(Cc2c[nH]c3ccccc23)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.42
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
CYP2D6 P10635 2/20 0.37
TACR3 P29371 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL3953038 0.95 TACR1 (0.41) TACR1MMP2MMP9CYP2D6MEN1
SCHEMBL13904515 0.95 TACR1 (0.41) TACR1MMP2MMP9CYP2D6MEN1
SCHEMBL4062789 0.89 TACR1 (0.44) TACR1MMP2MMP9CYP2D6TACR3
SCHEMBL4216399 0.89 TACR1 (0.42) TACR1MMP2MMP9TACR3MEN1
SCHEMBL3947792 0.88 MMP9 (0.43) TACR1MMP2MMP9CYP2D6TACR3
SCHEMBL13904509 0.88 MMP9 (0.43) TACR1MMP2MMP9CYP2D6TACR3
SCHEMBL4055562 0.83 TACR1 (0.46) TACR1MMP2MMP9TACR3MEN1
SCHEMBL4145231 0.81 MMP2 (0.36) TACR1MMP2MMP9CYP2D6MEN1
SCHEMBL13948961 0.81 CDK4 (0.46) TACR1MEN1KMT2A
SCHEMBL13904514 0.81 KMT2A (0.47) TACR1CYP2D6MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 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 (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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 TACR1 167/4885MMP2 3861/4885MMP9 4077/4885

“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.