SCHEMBL3485227

SCHEMBL3485227

CC1(C)NCC(c2ccc(Cl)cc2)c2ccc(-c3ccc(C(F)(F)F)nn3)cc21

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.82
SLC6A4 P31645 20/20 0.82
SLC6A3 Q01959 20/20 0.82

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
SCHEMBL3485124 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3485317 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3485606 0.79 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3
SCHEMBL751673 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3485616 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3485211 0.73 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL27869436 0.71 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL751731 0.69 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3485440 0.68 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL3485395 0.66 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3

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 10 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
CN-102458123-A Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RES INC 2012-05-16 CN 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
CN-102458123-A Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RES INC 2012-05-16 CN 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 64/4885SLC6A4 98/4885SLC6A3 87/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C SLC6A2 64/4885SLC6A4 98/4885SLC6A3 87/4885

“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.