SCHEMBL2536694

SCHEMBL2536694

CCc1cc(Br)cc2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ PIM3 Q86V86 1/20 0.35
▸ CHEK1 O14757 6/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ TAF1 P21675 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CECR2 Q9BXF3 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ GRM5 P41594 2/20 0.32
▸ REN P00797 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ CHUK O15111 1/20 0.31

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
SCHEMBL27778633 0.81 AHR (0.41) AHRCYP2A6NR4A2PIM3CHEK1
SCHEMBL11101358 0.79 KMT2A (0.41) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL23735763 0.78 USP2 (0.41) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL21921427 0.78 AHR (0.41) AHRNR4A2CHEK1BRD4TAF1
SCHEMBL31265094 0.78 REN (0.38) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL27778491 0.77 AHR (0.35) AHRCYP2A6NR4A2PIM3CHEK1
SCHEMBL24165715 0.75 MEN1 (0.43) CYP2A6HTR2AHTR2CIKBKBCHUK
SCHEMBL27778480 0.75 AHR (0.33) AHRCYP2A6NR4A2CHEK1HTR2A
SCHEMBL3584001 0.75 AHR (0.45) AHRCYP2A6NR4A2PIM3BRD4
SCHEMBL8995163 0.74 AHR (0.48) AHRCYP2A6NR4A2PIM3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 — — EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 — — US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 — — US disclosed
US-7446122-B2 Substituted indole derivatives CEPHALON, INC. (US) 2008-11-04 — — US disclosed
US-7314886-B2 Tetrahydropyrano-indole derivatives CEPHALON, INC. (US) 2008-01-01 — — US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 — — EP disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 — — US disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 — — EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 — — US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 — — US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 — — US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 — — EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 — — EP disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 — — US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 — — CN disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 — — WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 — — 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-20070244180-A1 Substituted indole derivatives IDO1, IDO2, HTR3A AHR 37/4885CYP2A6 205/4885NR4A2 2417/4885
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 AHR 153/4885CYP2A6 141/4885NR4A2 961/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B AHR 271/4885CYP2A6 202/4885NR4A2 839/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B AHR 271/4885CYP2A6 202/4885NR4A2 839/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B AHR 271/4885CYP2A6 202/4885NR4A2 839/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B AHR 515/4885CYP2A6 4401/4885NR4A2 3856/4885

“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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