SCHEMBL6014598

SCHEMBL6014598

CCC(N)Cc1ccccc1.CCNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ANPEP P15144 2/20 0.47
SLC6A4 P31645 3/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL895787 0.85 EPHX1 (0.73) EPHX1ANPEPSLC6A4SIGMAR1SLC6A2
SCHEMBL895668 0.85 EPHX1 (0.73) EPHX1ANPEPSLC6A4SIGMAR1SLC6A2
SCHEMBL43428 0.85 EPHX1 (0.73) EPHX1ANPEPSLC6A4SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL8842804 0.83 EPHX1 (0.70) EPHX1ANPEPSLC6A4SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL8734599 0.83 EPHX1 (0.70) EPHX1ANPEPSLC6A4SIGMAR1SLC6A2
SCHEMBL2146 0.81 MEN1 (0.64) SIGMAR1MAOAMEN1KMT2ATDP1
Benzene SCHEMBL7471176 0.81 MEN1 (0.64) SIGMAR1MAOAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL1551607 0.79 MEN1 (0.61) SIGMAR1MAOAMEN1KMT2ATDP1
SCHEMBL21065761 0.79 MEN1 (0.61) SIGMAR1MAOAMEN1KMT2ATDP1
SCHEMBL10813092 0.79 MEN1 (0.61) SIGMAR1MAOAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 EPHX1 912/4885ANPEP 2443/4885SLC6A4 3578/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 EPHX1 912/4885ANPEP 2443/4885SLC6A4 3578/4885

“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.