SCHEMBL222096

SCHEMBL222096

CC1CC(=O)c2ccc(Br)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
ADRA2A P08913 1/20 0.42
PNMT P11086 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
BRD4 O60885 3/20 0.40
CREBBP Q92793 2/20 0.40
EP300 Q09472 1/20 0.40
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
S100A4 P26447 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36
METAP1 P53582 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP2 O95551 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36

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
SCHEMBL20288981 0.88 PBRM1 (0.51) PBRM1ADRA2APNMTADRA2BADRA2C
SCHEMBL10914586 0.80 CES1 (0.42) BRD4CREBBPEP300CMA1AHR
SCHEMBL6648123 0.78 KDM4E (0.52) BRD4CREBBP
SCHEMBL30697867 0.77 PNMT (0.62) ADRA2APNMTADRA2BADRA2CCMA1
SCHEMBL6419356 0.77 CREBBP (0.59) BRD4CREBBPEP300TSHRLMNA
SCHEMBL29660000 0.77 CREBBP (0.59) BRD4CREBBPEP300TSHRLMNA
SCHEMBL17749826 0.75 BRD4 (0.63) ADRA2APNMTADRA2BADRA2CBRD4
SCHEMBL3308170 0.73 TSHR (0.60) PBRM1ADRA2APNMTADRA2BADRA2C
SCHEMBL2170999 0.73 TSHR (0.60) PBRM1ADRA2APNMTADRA2BADRA2C
SCHEMBL22868112 0.72 ACHE (0.46) BRD4CREBBPEP300TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045423-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2015-06-02 US disclosed
US-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2014-09-04 US disclosed
US-8791090-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2014-07-29 US disclosed
US-20130172345-A1 1-ACYL-4-(PHENOXY, BENZYLOXY, OR PHENYLAMINO)-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES KOWA COMPANY, LTD. (JP) 2013-07-04 US disclosed
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 US disclosed
US-20100222347-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA, COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2010-09-02 US disclosed
EP-2199283-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA, COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2010-06-23 EP 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-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 PBRM1 2222/4885ADRA2A 3212/4885PNMT 2126/4885
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 PBRM1 2222/4885ADRA2A 3212/4885PNMT 2126/4885
US-20100222347-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA, COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG2, HBG1 PBRM1 1244/4885ADRA2A 3451/4885PNMT 1273/4885
US-20130172345-A1 1-ACYL-4-(PHENOXY, BENZYLOXY, OR PHENYLAMINO)-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES EPOR, HBG2, HBG1 PBRM1 675/4885ADRA2A 2428/4885PNMT 759/4885

“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.