SCHEMBL18171323

SCHEMBL18171323

c1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.53
▸ PKM P14618 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CXCR3 P49682 1/20 0.50
▸ ACHE P22303 2/20 0.47
▸ BCHE P06276 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ CCR3 P51677 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CXCR4 P61073 1/20 0.44

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
SCHEMBL24628147 0.89 SIGMAR1 (0.58) SIGMAR1CXCR3ACHECCR3MC4R
SCHEMBL18177857 0.80 TRPV6 (0.54) KDM4EACHEBCHEBACE1SMN1; SMN2
SCHEMBL1143256 0.78 SIGMAR1 (0.60) KDM4ESIGMAR1KMT2ACXCR3ACHE
SCHEMBL17166950 0.77 KDM4E (0.57) KDM4EPKMKMT2A
SCHEMBL13698447 0.77 KDM4E (0.57) KDM4EPKMKMT2A
SCHEMBL11315406 0.77 KDM4E (0.57) KDM4EPKMKMT2A
SCHEMBL27979614 0.75 KDM4E (0.50) KDM4EPKMKMT2A
SCHEMBL3351443 0.75 SIGMAR1 (0.55) SIGMAR1ACHEBCHEBACE1CCR3
SCHEMBL6800130 0.75 SIGMAR1 (0.55) SIGMAR1ACHEBCHEBACE1CCR3
SCHEMBL4797625 0.74 SIGMAR1 (0.69) SIGMAR1ACHECCR3MC4RRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 — — US disclosed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885SIGMAR1 3599/4885PKM 493/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 KDM4E 1755/4885SIGMAR1 3599/4885PKM 493/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885SIGMAR1 3599/4885PKM 493/4885

“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.

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