SCHEMBL9907231

SCHEMBL9907231

CN(C)CCNP(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
NCF1 P14598 2/20 0.37
TOP2A P11388 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
APOBEC3A P31941 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MEN1 O00255 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
SCHEMBL4203004 0.80 CYP3A4 (0.43) TAAR1CYP2C19SIGMAR1KMT2ANPC1
SCHEMBL17201445 0.77 SIGMAR1 (0.38) TAAR1SIGMAR1KMT2APOLBRAB9A
SCHEMBL30359275 0.73 ALDH1A1 (0.42) SIGMAR1POLB
SCHEMBL2155415 0.73 KCNN4 (0.44) SIGMAR1RAB9A
SCHEMBL19038488 0.73 HTR2A (0.42) CYP2C19HTR2AHRH1RAB9A
SCHEMBL7636331 0.72 KIF11 (0.42) TAAR1CYP2C19HTR2AHRH1KMT2A
SCHEMBL9907211 0.72 POLB (0.41) KMT2APOLBRAD52RAB9A
SCHEMBL10790182 0.72 CYP3A4 (0.60) TAAR1CYP2C19HTR2AHRH1SIGMAR1
SCHEMBL28580058 0.71 NPC1 (0.50) TAAR1CYP2C19SIGMAR1NPC1RAB9A
SCHEMBL28215833 0.69 HTR6 (0.38) TAAR1HTR2AHRH1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 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-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA TAAR1 919/4885CYP2C19 2417/4885HTR2A 1807/4885

“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.