SCHEMBL3284644

SCHEMBL3284644

BrCc1ccc2c(c1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXRB P28702 2/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CETP P11597 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STS P08842 1/20 0.38
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3279449 0.98 RXRB (0.42) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL31468782 0.93 TRPA1 (0.36) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL3453086 0.82 HPGD (0.40) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL3452332 0.80 RXRB (0.41) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL9720050 0.80 TSHR (0.46) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL81619 0.77 RXRB (0.39) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2990486 0.76 TSHR (0.42) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL2633408 0.76 GRIN2B (0.46) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL695095 0.76 TSHR (0.42) TSHRHPGDCYP1A2MAPTCYP2C9
SCHEMBL5504129 0.76 KMT2A (0.47) TSHRMAPTRXRBADRA2AADRA2B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676915-A1 SORTILINE MODULATORS Vesper Bio Aps (DK) 2026-01-14 EP disclosed
WO-2024184471-A1 SORTILINE MODULATORS VESPER BIO APS (DK) 2024-09-12 WO disclosed
EP-4428122-A1 SORTILINE MODULATORS Vesper Bio Aps (DK) 2024-09-11 EP disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
US-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2023-06-27 US disclosed
WO-2022117059-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF 瑞石生物医药有限公司 2022-06-09 WO disclosed
CN-107531613-B Benzo-aliphatic ring-substituted alkylamine compound and application thereof 华东理工大学 2021-02-05 CN disclosed
WO-2017132912-A1 ALKYLAMINE WITH BENZOALICYCLIC SUBSTITUENT AND APPLICATION THEREOF 华东理工大学 2017-08-10 WO disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 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 (6 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-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR TSHR 3921/4885HPGD 3675/4885CYP1A2 4862/4885
US-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA TSHR 599/4885HPGD 1059/4885CYP1A2 1977/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA TSHR 599/4885HPGD 1059/4885CYP1A2 1977/4885
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 TSHR 3393/4885HPGD 279/4885CYP1A2 101/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA TSHR 1003/4885HPGD 990/4885CYP1A2 2212/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC TSHR 3163/4885HPGD 542/4885CYP1A2 108/4885

“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.