SCHEMBL226256

SCHEMBL226256

CC(C)(C)CN(CC1CCCO1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 9/20 0.43
▸ AVPR1A P37288 7/20 0.43
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ AVPR2 P30518 1/20 0.40
▸ AVPR1B P47901 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL226526 1.00 OXTR (0.43) OXTRAVPR1AGAAALDH1A1AVPR2
SCHEMBL226254 1.00 OXTR (0.43) OXTRAVPR1AGAAALDH1A1AVPR2
SCHEMBL25664892 0.75 ALDH1A1 (0.40) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL15017086 0.74 ALOX5 (0.41) ALDH1A1
SCHEMBL4915463 0.73 KMT2A (0.41) OXTRAVPR1AGAAALDH1A1MEN1
SCHEMBL4915454 0.73 KMT2A (0.41) OXTRAVPR1AGAAALDH1A1MEN1
SCHEMBL611402 0.71 OXTR (0.42) OXTRAVPR1AGAAALDH1A1AVPR2
SCHEMBL226255 0.71 HTR2C (0.40) OXTRGAAALDH1A1MEN1KMT2A
SCHEMBL226527 0.71 HTR2C (0.40) OXTRGAAALDH1A1MEN1KMT2A
SCHEMBL3662388 0.71 HTR2C (0.40) OXTRGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 — — 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 (2 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-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 OXTR 843/4885AVPR1A 628/4885GAA 4788/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 OXTR 110/4885AVPR1A 172/4885GAA 4806/4885

“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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