SCHEMBL550480

SCHEMBL550480

CCC1Cc2ccc(F)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.46
▸ ADRA2A P08913 3/20 0.46
▸ ADRA2B P18089 3/20 0.46
▸ ADRA2C P18825 3/20 0.46
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ HTR5A P47898 2/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ AR P10275 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.33
▸ TRPM5 Q9NZQ8 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
SCHEMBL26656339 0.88 ADRA2A (0.41) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL15896885 0.80 PNMT (0.47) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL31404150 0.79 PNMT (0.35) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL13634392 0.79 ADRA2A (0.46) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL15445210 0.76 PNMT (0.44) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL2997969 0.76 ACHE (0.44) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL22955423 0.76 CREBBP (0.59) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL549073 0.76 CREBBP (0.59) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL26815363 0.72 PNMT (0.51) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL26810290 0.72 PNMT (0.51) PNMTADRA2AADRA2BADRA2CBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 — — EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 — — EP disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 — — US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 — — US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 — — US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 — — EP disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 — — EP disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — WO 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 (1 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA PNMT 3325/4885ADRA2A 117/4885ADRA2B 100/4885

“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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