SCHEMBL13400663

SCHEMBL13400663

COc1cc(OC(C)C)ccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.42
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 3/20 0.40
ERN1 O75460 1/20 0.40
CYP2D6 P10635 1/20 0.40
PARP10 Q53GL7 1/20 0.39
MEN1 O00255 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL682768 0.86 CA12 (0.58) LPAR1P2RX3P2RX2CA12CA1
SCHEMBL13877397 0.85 CYP2D6 (0.46) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL4229055 0.84 MEN1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL27836395 0.82 KDM4E (0.50) LPAR1KMT2AMEN1TUBB4ATUBB
SCHEMBL10636549 0.82 CA2 (0.64) CA12CA1CA2CA7CA9
SCHEMBL12695018 0.81 POLB (0.42) P2RX3P2RX2ALDH1A1POLBGAA
SCHEMBL19612492 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL12889913 0.79 ALDH1A1 (0.47) ALDH1A1POLBGAAKMT2APARP10
SCHEMBL8282093 0.78 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9946003 0.78 TDP1 (0.54) ALDH1A1GAAKMT2APARP10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
US-20100093727-A1 COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-04-15 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 (4 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-20100093727-A1 COMPOUNDS AND METHODS OF USE PRKDC, PRKACA, PRKX LPAR1 599/4885P2RX3 2984/4885P2RX2 2599/4885
US-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 LPAR1 716/4885P2RX3 80/4885P2RX2 95/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 LPAR1 716/4885P2RX3 80/4885P2RX2 95/4885
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ LPAR1 1239/4885P2RX3 3394/4885P2RX2 3353/4885

“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.