SCHEMBL3602728

SCHEMBL3602728

Cc1ccc2[nH]c(C(=O)NC3CCN(C)C3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.61
HRH4 Q9H3N8 2/20 0.55
AKR1C3 P42330 4/20 0.53
PYGL P06737 2/20 0.53
PYGM P11217 1/20 0.53
MLLT1 Q03111 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PIN1 Q13526 1/20 0.49

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
SCHEMBL3602723 1.00 GHSR (0.61) GHSRHRH4AKR1C3PYGLPYGM
SCHEMBL3613025 0.87 HRH4 (0.56) GHSRHRH4PYGLPYGMMLLT1
SCHEMBL3608941 0.87 SMYD3 (0.65) HRH4PYGLPYGM
SCHEMBL3603886 0.87 HRH4 (0.56) GHSRHRH4PYGLPYGMMLLT1
SCHEMBL3608632 0.87 MLLT1 (0.69) GHSRHRH4PYGLPYGMMLLT1
SCHEMBL3608629 0.87 MLLT1 (0.69) GHSRHRH4PYGLPYGMMLLT1
SCHEMBL3603891 0.87 HRH4 (0.56) GHSRHRH4PYGLPYGMMLLT1
SCHEMBL3608944 0.87 SMYD3 (0.65) HRH4PYGLPYGM
SCHEMBL3598547 0.85 KDM4E (0.59) HRH4AKR1C3PYGLPYGMMLLT1
SCHEMBL3598549 0.85 KDM4E (0.59) HRH4AKR1C3PYGLPYGMMLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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 (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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT GHSR 2639/4885HRH4 396/4885AKR1C3 2168/4885

“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.