SCHEMBL7496907

SCHEMBL7496907

c1ccc(Cc2ccccc2C2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.60
▸ SLC6A4 P31645 6/20 0.60
▸ SLC6A3 Q01959 6/20 0.60
▸ HTR1A P08908 4/20 0.56
▸ HRH1 P35367 3/20 0.56
▸ HTR2C P28335 6/20 0.56
▸ GABRA1 P14867 2/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ GBA1 P04062 1/20 0.49
▸ SLC18A3 Q16572 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48

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
Hydrochloric Acid SCHEMBL11200015 0.98 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR1AHRH1
Hydrochloric Acid SCHEMBL11195226 0.98 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR1AHRH1
SCHEMBL11498275 0.90 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR1AHRH1
Hydrochloric Acid SCHEMBL11198045 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR1AHRH1
SCHEMBL11195148 0.87 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AHRH1
SCHEMBL6162106 0.87 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR1AHRH1
Bromide SCHEMBL11196546 0.86 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR1AHRH1
SCHEMBL11463949 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AHRH1
Hydrochloric Acid SCHEMBL11198129 0.82 HTR2C (0.55) SLC6A2SLC6A4SLC6A3HTR1AHRH1
SCHEMBL49168 0.82 PTGDR2 (0.44) SLC6A2SLC6A4SLC6A3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4241071-A Antidepressant (α-phenyl-2-tolyl)azacycloalkanes AMERICAN HOECHST CORPORATION (US) 1980-12-23 — — US claimed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 — — US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 — — WO disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 — — US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 — — US disclosed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 — — EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 — — EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 — — US disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 — — 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SLC6A2 1396/4885SLC6A4 876/4885SLC6A3 1605/4885

“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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