SCHEMBL3484560

SCHEMBL3484560

CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(-c3cccnn3)cc21

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.73
SLC6A3 Q01959 19/20 0.73
SLC6A4 P31645 18/20 0.73

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
SCHEMBL751673 0.84 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3485395 0.81 SLC6A4 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3485124 0.81 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL749039 0.79 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL749413 0.76 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4
SCHEMBL3485111 0.74 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL750267 0.71 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4
SCHEMBL16780836 0.71 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4
SCHEMBL3485227 0.70 SLC6A2 (0.82) SLC6A2SLC6A3SLC6A4
SCHEMBL750410 0.69 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 US claimed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP claimed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US claimed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9034899-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-05-19 US disclosed
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 US disclosed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 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-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C SLC6A2 64/4885SLC6A3 87/4885SLC6A4 98/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C SLC6A2 64/4885SLC6A3 87/4885SLC6A4 98/4885

“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.