SCHEMBL615897

SCHEMBL615897

Cn1ccc2c(F)cc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP19A1 P11511 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2A6 P11509 2/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ HTR2A P28223 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
SCHEMBL18876108 0.82 RHEB (0.41) RHEBKDM4EALDH1A1MAPTRXFP1
SCHEMBL31607587 0.82 RHEB (0.38) RHEBKDM4EALDH1A1MAPTRXFP1
SCHEMBL29967388 0.80 RHEB (0.40) RHEBKDM4EALDH1A1MAPTRXFP1
SCHEMBL18230155 0.80 RHEB (0.40) RHEBKDM4EALDH1A1MAPTRXFP1
SCHEMBL31533438 0.80 RHEB (0.40) RHEBKDM4EALDH1A1MAPTRXFP1
SCHEMBL26141092 0.77 RHEB (0.35) RHEBKDM4EALDH1A1MAPTRXFP1
SCHEMBL28882191 0.75 DAO (0.38) CYP19A1
SCHEMBL6625820 0.75 CYP19A1 (0.30) CYP19A1
SCHEMBL15723826 0.75 HTR2C (0.35) CYP19A1SLC6A4HTR2AHTR2C
SCHEMBL2435580 0.72 RHEB (0.66) RHEBKDM4EALDH1A1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 — — US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 — — US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 — — US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 — — EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 — — EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 — — US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 — — US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 — — US 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
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 — — EP 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 — — 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 (11 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 RHEB 2581/4885KDM4E 796/4885ALDH1A1 4598/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 RHEB 2581/4885KDM4E 796/4885ALDH1A1 4598/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 RHEB 2581/4885KDM4E 796/4885ALDH1A1 4598/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B RHEB 4267/4885KDM4E 1970/4885ALDH1A1 1218/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B RHEB 4267/4885KDM4E 1970/4885ALDH1A1 1218/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 RHEB 2581/4885KDM4E 796/4885ALDH1A1 4598/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RHEB 272/4885KDM4E 1590/4885ALDH1A1 649/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RHEB 272/4885KDM4E 1590/4885ALDH1A1 649/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 RHEB 2581/4885KDM4E 796/4885ALDH1A1 4598/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 RHEB 2581/4885KDM4E 796/4885ALDH1A1 4598/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B RHEB 4267/4885KDM4E 1970/4885ALDH1A1 1218/4885

“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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