SCHEMBL9880973

SCHEMBL9880973

CC(C)CCC(CN)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.51
GABBR1 Q9UBS5 6/20 0.51
LMNA P02545 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 2/20 0.51
THRB P10828 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD3 P35462 1/20 0.51
BLM P54132 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL21610467 0.82 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL3637898 0.82 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL18854621 0.82 MEN1 (0.47) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL24878696 0.82 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL3642655 0.82 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL24878661 0.82 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL10507284 0.81 GABBR2 (0.64) GABBR2GABBR1LMNACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL3665299 0.81 GABBR2 (0.51) GABBR2GABBR1LMNACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL10681987 0.79 GABBR2 (0.62) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL7669749 0.78 GABBR2 (0.58) GABBR2GABBR1LMNACYP2C9CYP1A2

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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20120046272-A1 Novel Therapeutic Compounds GRUNENTHAL GMBH (DE) 2012-02-23 US disclosed
US-20120046272-A1 Novel Therapeutic Compounds GRUNENTHAL GMBH (DE) 2012-02-23 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-20120046272-A1 Novel Therapeutic Compounds OPRL1, OPRK1, OPRM1 GABBR2 1598/4885GABBR1 1305/4885LMNA 3652/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 GABBR2 1591/4885GABBR1 1094/4885LMNA 1765/4885

“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.