SCHEMBL989673

SCHEMBL989673

COc1ccc(Br)c(CCN)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.66
ADRA1A P35348 1/20 0.66
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
CYP1A2 P05177 2/20 0.51
HTR1A P08908 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
HTR4 Q13639 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL31627757 1.00 TAAR1 (0.66) TAAR1ADRA1AHTR2AHTR2CCYP1A2
Hydrochloric Acid SCHEMBL15055214 0.98 TAAR1 (0.64) TAAR1ADRA1AHTR2AHTR2CCYP1A2
SCHEMBL1458797 0.89 TAAR1 (0.53) TAAR1ADRA1AHTR2AHTR2CCYP1A2
SCHEMBL7551792 0.88 ADRA1A (0.48) TAAR1ADRA1AHTR2AHTR2CHTR1A
SCHEMBL32684300 0.87 TAAR1 (0.62) TAAR1ADRA1AHTR2AHTR2CCYP1A2
SCHEMBL10345905 0.87 TAAR1 (0.62) TAAR1ADRA1AHTR2AHTR2CCYP1A2
SCHEMBL2517236 0.85 ADRA1A (0.50) TAAR1ADRA1AHTR2AHTR2CHTR1A
SCHEMBL15376943 0.83 HTR1A (0.45) TAAR1ADRA1AHTR2AHTR2CHTR1A
SCHEMBL17330013 0.83 HTR1A (0.45) TAAR1ADRA1AHTR2AHTR2CHTR1A
SCHEMBL12428735 0.81 HTR1A (0.44) TAAR1ADRA1AHTR2AHTR2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125688-A2 NOVEL COMPOUNDS FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2025-06-19 WO disclosed
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
WO-2018189199-A1 PYRIDINIUM SALTS AND USES THEREOF UNIVERSITY COLLEGE LONDON (GB) 2018-10-18 WO disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 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 (3 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 TAAR1 401/4885ADRA1A 358/4885HTR2A 265/4885
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GOLT1B, SLC10A1, SUGT1 TAAR1 1768/4885ADRA1A 1401/4885HTR2A 1735/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 TAAR1 1768/4885ADRA1A 1401/4885HTR2A 1735/4885

“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.