SCHEMBL12394763

SCHEMBL12394763

CC(C)CCc1cc(C(C)C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.40
▸ SYK P43405 1/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ RXRA P19793 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL13533992 0.83 KDM4E (0.50) RXRAGRIN1GRIN2BKDM4ELMNA
SCHEMBL6638892 0.81 KDM4E (0.38) RXRAGRIN1GRIN2BKDM4ELMNA
SCHEMBL20280911 0.81 HRH1 (0.46) HRH4SYKRXRAGRIN1GRIN2B
SCHEMBL12120617 0.81 RXRA (0.35) NOS3NOS1NOS2RXRAGRIN1
SCHEMBL18799858 0.80 LMNA (0.40) NOS3NOS1NOS2RXRAGRIN1
SCHEMBL13995011 0.79 NOS1 (0.51) HRH4SYKNOS3NOS1NOS2
SCHEMBL24868449 0.79 ALDH1A1 (0.34) RXRAGRIN1GRIN2BAAK1KDM4E
SCHEMBL2547950 0.79 KCNH2 (0.42) TDP1KDM4ELMNACYP3A4TSHR
SCHEMBL29348302 0.79 RXRA (0.38) NOS1NOS2RXRAGRIN1GRIN2B
SCHEMBL11994370 0.79 CYP1A2 (0.46) NOS3NOS1NOS2RXRAGRIN1

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-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 — — US disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 — — US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 — — US disclosed
US-9637477-B2 Therapeutic substituted pyrroles ALLERGAN, INC. (US) 2017-05-02 — — US disclosed
US-20150336940-A1 THERAPEUTIC SUBSTITUTED PYRROLES ALLERGAN, INC. 2015-11-26 — — US disclosed
US-7985765-B2 Therapeutic substituted pyrroles ALLERGAN, INC. (US) 2011-07-26 — — US disclosed
US-20100048664-A1 THERAPEUTIC SUBSTITUTED PYRROLES ALLERGAN, INC. (US) 2010-02-25 — — 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 (5 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-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD HRH4 4514/4885SYK 4158/4885NOS3 3449/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A HRH4 2335/4885SYK 4597/4885NOS3 3270/4885
US-20150336940-A1 THERAPEUTIC SUBSTITUTED PYRROLES PTGS2, PTGES2, PTGIS HRH4 2242/4885SYK 3656/4885NOS3 130/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD HRH4 4514/4885SYK 4158/4885NOS3 3449/4885
US-20100048664-A1 THERAPEUTIC SUBSTITUTED PYRROLES GOT2, FARS2, THPO HRH4 2516/4885SYK 858/4885NOS3 659/4885

“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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