SCHEMBL6405636

SCHEMBL6405636

C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HDAC4 P56524 1/20 0.46
HSD11B1 P28845 8/20 0.45
AVPR1A P37288 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ASAH1 Q13510 1/20 0.42
ACER2 Q5QJU3 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6413085 1.00 CYP2D6 (0.50) CYP2D6CYP2C19CYP1A2ALDH1A1HDAC4
SCHEMBL6406223 1.00 CYP2D6 (0.50) CYP2D6CYP2C19CYP1A2ALDH1A1HDAC4
SCHEMBL6413090 1.00 CYP2D6 (0.50) CYP2D6CYP2C19CYP1A2ALDH1A1HDAC4
SCHEMBL6410915 0.85 ALDH1A1 (0.62) ALDH1A1HDAC4HSD11B1AVPR1ASMN1; SMN2
SCHEMBL6404844 0.85 ALDH1A1 (0.62) ALDH1A1HDAC4HSD11B1AVPR1ASMN1; SMN2
SCHEMBL6406287 0.82 HDAC4 (0.44) ALDH1A1HDAC4HSD11B1AVPR1ASMN1; SMN2
SCHEMBL6406294 0.82 HDAC4 (0.44) ALDH1A1HDAC4HSD11B1AVPR1ASMN1; SMN2
SCHEMBL6405795 0.81 ALDH1A1 (0.46) CYP2D6CYP2C19CYP1A2ALDH1A1HDAC4
SCHEMBL6405792 0.81 ALDH1A1 (0.46) CYP2D6CYP2C19CYP1A2ALDH1A1HDAC4
SCHEMBL4830008 0.81 CNR1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US disclosed
US-6852752-B2 Urea compounds, compositions and methods of use and preparation VICURON PHARMACEUTICALS INC. (US) 2005-02-08 US disclosed
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CYP2D6 312/4885CYP2C19 180/4885CYP1A2 181/4885
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation PDF, UROD, HDHD5 CYP2D6 3123/4885CYP2C19 2702/4885CYP1A2 3760/4885

“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.