SCHEMBL7676409

SCHEMBL7676409

CC(C)(CN)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.60
HTR2A P28223 2/20 0.39
CYP2A6 P11509 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
OGG1 O15527 1/20 0.35
SHBG P04278 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL6562809 0.87 TAAR1 (0.75) TAAR1SHBGESR1ESR2NPC1
Hydrochloric Acid SCHEMBL6563360 0.85 TAAR1 (0.71) TAAR1HTR2CSHBGESR1ESR2
SCHEMBL5877849 0.80 TAAR1 (0.65) TAAR1CA1CA2CA9ALDH1A1
SCHEMBL10961852 0.80 TAAR1 (0.65) TAAR1SHBGESR1ESR2NPC1
SCHEMBL12171 0.78 TAAR1 (0.62) TAAR1SHBGESR1ESR2NPC1
SCHEMBL10574062 0.78 TAAR1 (0.62) TAAR1ALDH1A1MAPK1SHBGESR1
SCHEMBL3239365 0.78 NPC1 (0.48) CYP2A6ALDH1A1MAPK1SHBGNPC1
SCHEMBL8350486 0.78 TAAR1 (0.62) TAAR1HTR2ACYP2A6CA1CA2
SCHEMBL7839746 0.77 HTR2C (0.38) TAAR1HTR2ACYP2A6CA1CA2
SCHEMBL3045994 0.76 CNR1 (0.42) TAAR1CYP2A6CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
CN-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 CN disclosed
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2023-02-28 US disclosed
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
EP-3761978-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2021-01-13 EP disclosed
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2020-12-24 US disclosed
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2020-12-24 US disclosed
CN-107573295-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2020-12-15 CN disclosed
CN-111825656-A Inhibitors of protein arginine methyltransferase 5(PRMT5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2020-10-27 CN disclosed
WO-2019173804-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2019-09-12 WO disclosed
CN-103987697-A Substituted tetrahydroisoquinoline compounds as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2014-08-13 CN disclosed
CN-102834394-A Bicyclic quinolone compounds, preparation and application thereof KBP BIOSCIENCES CO LTD 2012-12-19 CN disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2011124093-A1 BICYCLIC QUINOLONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-10-13 WO disclosed
CN-102212056-A Novel bicyclo-carbostyril compounds KBP BIOSCIENCES CO LTD 2011-10-12 CN disclosed
US-6358974-B1 USED AS AS MODULATORS OF DOPAMINE D.SUB.3 RECEPTORS, IN THERAPY AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-19 US disclosed
EP-1137638-A2 ISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-04 EP disclosed
WO-2000024717-A2 ISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-04 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 (4 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-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 TAAR1 4230/4885HTR2A 1194/4885CYP2A6 880/4885
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PRMT5, PRMT1, PRMT3 TAAR1 2651/4885HTR2A 4840/4885CYP2A6 4281/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G TAAR1 4681/4885HTR2A 3423/4885CYP2A6 233/4885
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PRMT5, PRMT1, PRMT3 TAAR1 2651/4885HTR2A 4840/4885CYP2A6 4281/4885

“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.