SCHEMBL20863593

SCHEMBL20863593

c1ccc2c(c1)CCCC2c1ccc2[nH]ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.60
▸ SLC6A4 P31645 2/20 0.60
▸ SLC6A3 Q01959 2/20 0.60
▸ GID4 Q8IVV7 1/20 0.50
▸ ADRA1A P35348 3/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ HSD11B1 P28845 3/20 0.45
▸ CYP2D6 P10635 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPK14 Q16539 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
SCHEMBL4272848 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HSD11B1CYP2D6
SCHEMBL4272851 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HSD11B1CYP2D6
SCHEMBL4282018 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HSD11B1CYP2D6
Hydrochloric Acid SCHEMBL4271925 0.81 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HSD11B1CYP2D6
SCHEMBL22319970 0.80 GID4 (0.61) SLC6A2SLC6A4SLC6A3GID4ADRA1A
SCHEMBL4282005 0.79 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3HSD11B1CYP2D6
SCHEMBL4305585 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6MEN1
SCHEMBL4306070 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4276678 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HSD11B1CYP2D6
SCHEMBL15883779 0.74 CYP19A1 (0.52) SLC6A2SLC6A4SLC6A3HSD11B1CHRM1

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-20200253996-A1 TCTP INHIBITING AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, INFECTIOUS DISEASES, ALLERGIES, INFLAMMATIONS AND/OR ASTHMA UNIVERSITE PARIS-SUD (FR) 2020-08-13 — — US disclosed
US-20200253996-A1 TCTP INHIBITING AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, INFECTIOUS DISEASES, ALLERGIES, INFLAMMATIONS AND/OR ASTHMA UNIVERSITE PARIS-SUD (FR) 2020-08-13 — — US disclosed
WO-2019063955-A1 AGENTS INHIBITING TCTP PROTEIN FOR THE TREATMENT OF PROLIFERATIVE DISEASES, INFECTIOUS DISEASES, ALLERGIES, INFLAMMATIONS AND/OR ASTHMA UNIVERSITE PARIS-SUD (FR) 2019-04-04 — — WO 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-20200253996-A1 TCTP INHIBITING AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, INFECTIOUS DISEASES, ALLERGIES, INFLAMMATIONS AND/OR ASTHMA NR3C1, TSLP, FPR3 SLC6A2 3339/4885SLC6A4 2672/4885SLC6A3 2924/4885

“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.

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