SCHEMBL4151019

SCHEMBL4151019

CC(N)C(c1ccccc1)c1ccc(C[C@@H](C)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.64
SLC6A2 P23975 4/20 0.64
SLC6A4 P31645 3/20 0.64
SLC6A3 Q01959 2/20 0.64
MAOA P21397 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
CYP2A6 P11509 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
CYP2D6 P10635 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL22591639 0.85 TAAR1 (0.69) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL5872238 0.82 ADRA2A (0.58) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL1168170 0.82 ADRA2A (0.58) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL15667190 0.82 ADRA2A (0.58) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL27842768 0.81 TAAR1 (0.64) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Amphetamine SCHEMBL1560962 0.80 SLC6A2 (1.00) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Dextroamphetamine SCHEMBL8859 0.80 SLC6A2 (1.00) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Amphetamine SCHEMBL15094242 0.80 SLC6A2 (1.00) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Amphetamine SCHEMBL910141 0.80 SLC6A2 (1.00) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Levamfetamine SCHEMBL9673275 0.80 SLC6A2 (1.00) TAAR1SLC6A2SLC6A4SLC6A3MAOA

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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 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 (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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 TAAR1 2595/4885SLC6A2 1618/4885SLC6A4 796/4885

“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.