SCHEMBL2741665

SCHEMBL2741665

CC(C)c1cccc2c1CN(C(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
TMEM97 Q5BJF2 4/20 0.38
SIGMAR1 Q99720 4/20 0.38
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 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
SCHEMBL10199308 0.84 HRH3 (0.39) KCNH2GABRA1GABRG2GABRB3GABRB2
SCHEMBL19755625 0.84 HRH3 (0.36) KCNH2TMEM97SIGMAR1GABRA1GABRG2
SCHEMBL14159060 0.79 MAOA (0.39) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL15449628 0.79 KIF11 (0.42) KCNH2TMEM97SIGMAR1HPGDMEN1
SCHEMBL13243094 0.78 KCNH2 (0.58) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL12367365 0.78 ADRA2A (0.44) KCNH2TMEM97SIGMAR1CYP1A2TSHR
SCHEMBL1101990 0.75 MEN1 (0.55) KCNH2HPGDTSHRLMNAMEN1
SCHEMBL18368360 0.75 HTR2C (0.41) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL20119408 0.75 ACACB (0.40) KCNH2TMEM97SIGMAR1HTR2BMEN1
SCHEMBL21362951 0.75 KCNH2 (0.37) KCNH2TMEM97SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
WO-2022268229-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE 和径医药科技(上海)有限公司 2022-12-29 WO disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 KCNH2 1700/4885TMEM97 3233/4885SIGMAR1 778/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KCNH2 1642/4885TMEM97 2846/4885SIGMAR1 743/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 KCNH2 4355/4885TMEM97 2325/4885SIGMAR1 4538/4885

“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.