SCHEMBL2702170

SCHEMBL2702170

NC(=O)C1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.54
CYP2D6 P10635 1/20 0.52
CACNA1G O43497 5/20 0.51
OPRL1 P41146 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CCR3 P51677 1/20 0.49
POLB P06746 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
SCHEMBL476242 0.90 OPRL1 (0.60) ALDH1A1TSHRCYP2D6OPRL1MEN1
Hydrochloric Acid SCHEMBL2158958 0.89 POLB (0.61) ALDH1A1TSHRCYP2D6OPRL1MEN1
SCHEMBL31567152 0.88 TSHR (0.53) ALDH1A1TSHRCYP2D6OPRL1MEN1
SCHEMBL31567178 0.86 TSHR (0.51) ALDH1A1TSHRCYP2D6OPRL1CCR3
SCHEMBL373427 0.86 SLC6A12 (0.53) CYP2D6CACNA1GMEN1KMT2A
Hydrochloric Acid SCHEMBL8347459 0.85 ALDH1A1 (0.45) ALDH1A1TSHRCYP2D6CACNA1GMEN1
Hydrochloric Acid SCHEMBL8347488 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP2D6CACNA1GMEN1
SCHEMBL8347203 0.85 CACNA1G (0.49) CYP2D6CACNA1GOPRL1MEN1KMT2A
SCHEMBL3406327 0.84 CYP3A4 (0.58) ALDH1A1TSHRCYP2D6OPRL1MEN1
SCHEMBL8347214 0.84 CACNA1G (0.48) CYP2D6CACNA1GOPRL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943144-B Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2025-05-13 CN disclosed
CN-115943144-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2023-04-07 CN disclosed
CN-114075175-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2022-02-22 CN disclosed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885TSHR 2555/4885CYP2D6 1945/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885TSHR 2555/4885CYP2D6 1945/4885

“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.