SCHEMBL19361232

SCHEMBL19361232

CC(C)(C)n1cc(CCN)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ GABRA2 P47869 3/20 0.32
▸ GABRB2 P47870 3/20 0.32
▸ HRH1 P35367 1/20 0.31
▸ CYP19A1 P11511 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30

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
SCHEMBL16216284 0.86 GABRA2 (0.33) GABRA2GABRB2CYP19A1
SCHEMBL11954946 0.84 NOTUM (0.43) MAOANOTUM
SCHEMBL14212090 0.84 GABRA2 (0.38) GABRA2GABRB2CYP19A1NOTUM
SCHEMBL14900333 0.83 CYP4F2 (0.31) —
SCHEMBL15222209 0.82 GABRA2 (0.45) GABRA2GABRB2CYP19A1
SCHEMBL14212094 0.81 NOTUM (0.41) GABRA2GABRB2CYP19A1NOTUM
SCHEMBL18767836 0.78 GABRA2 (0.49) HRH4HRH3GABRA2GABRB2CYP19A1
SCHEMBL20812235 0.78 NOTUM (0.44) GABRA2GABRB2CYP19A1NOTUM
SCHEMBL11955225 0.78 GABRA2 (0.31) GABRA2GABRB2
SCHEMBL23451216 0.77 GABRA2 (0.36) GABRA2GABRB2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT REMPEX PHARMACEUTICALS, INC. 2019-07-11 — — US disclosed
US-20180051041-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC 2018-02-22 — — US disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 — — 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP2C9 3416/4885TSHR 3677/4885CYP2C19 2911/4885
US-20180051041-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 CYP2C9 2400/4885TSHR 1972/4885CYP2C19 1809/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM CYP2C9 2757/4885TSHR 1897/4885CYP2C19 2058/4885

“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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