SCHEMBL1638047

SCHEMBL1638047

CC(c1ncc[nH]1)N(Cc1ccc(C=O)cc1)C(c1ncc[nH]1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1638453 0.78 CXCR4 (0.47) LMNA
SCHEMBL5795101 0.77 ALDH1A1 (0.33) TAAR1ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL1637370 0.73 TAAR1 (0.40) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL1638305 0.70 AAK1 (0.33)
SCHEMBL1206403 0.69 ALDH1A1 (0.48) ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2693545 0.68 CYP2D6 (0.36) TAAR1ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL6205526 0.63 HDAC1 (0.50) LMNASMN1; SMN2
SCHEMBL7819462 0.62 CYP19A1 (0.39) TAAR1LMNASMN1; SMN2
SCHEMBL2127047 0.62 CYP2D6 (0.46) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL5597421 0.62 FPR2 (0.39) ADRA2AADRA2BADRA2CCYP2D6

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 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 (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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 TAAR1 67/4885ADRA2A 243/4885ADRA2B 179/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 TAAR1 82/4885ADRA2A 196/4885ADRA2B 169/4885

“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.