SCHEMBL9103234

SCHEMBL9103234

CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL31478936 1.00 HPGD (0.44) HPGDUSP2ALOX15SLC6A4SLC6A3
SCHEMBL9102588 0.99 SLC6A4 (0.43) SLC6A4SLC6A3
SCHEMBL9102594 0.99 SLC6A4 (0.43) SLC6A4SLC6A3
SCHEMBL31478979 0.99 SLC6A4 (0.43) SLC6A4SLC6A3
SCHEMBL9276710 0.99 SLC6A4 (0.43) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9105411 0.98 USP2 (0.44) USP2ALOX15SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9105405 0.98 USP2 (0.44) USP2ALOX15SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9279732 0.98 USP2 (0.44) USP2ALOX15SLC6A4SLC6A3
SCHEMBL9100555 0.97 SLC6A4 (0.41) SLC6A4SLC6A3
SCHEMBL9100563 0.97 SLC6A4 (0.41) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885USP2 3248/4885ALOX15 4547/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885USP2 3248/4885ALOX15 4547/4885

“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.

Send feedback