SCHEMBL18675984

SCHEMBL18675984

IN1CCC(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 6/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ SRD5A1 P18405 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 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
SCHEMBL20428005 0.88 DRD2 (0.56) SLC18A3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18123291 0.87 GRIN2B (0.56) SLC18A3SMN1; SMN2ALDH1A1DRD2GRIN2B
SCHEMBL21078239 0.80 HSD11B1 (0.43) SMN1; SMN2ALDH1A1TP53LMNAMAPT
SCHEMBL18675979 0.80 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1DRD2
SCHEMBL24315732 0.78 CYP11B2 (0.54) ALDH1A1LMNAMAPT
SCHEMBL25809624 0.76 NPC1 (0.51) SLC18A3NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL6200948 0.75 DRD2 (0.55) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL826215 0.75 DRD2 (0.55) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL20882044 0.75 SLC18A3 (0.47) SLC18A3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16367727 0.75 SLC18A3 (0.47) SLC18A3NPC1RAB9ASMN1; SMN2ALDH1A1

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
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 — — US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 — — US disclosed
US-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 — — US disclosed
EP-3353167-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-06-24 — — EP disclosed
US-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-10-03 — — US disclosed
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 — — US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 — — US disclosed
WO-2017051354-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 — — WO disclosed
WO-2017051353-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 — — WO 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 (7 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-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SLC18A3 2226/4885NPC1 1419/4885RAB9A 4264/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SLC18A3 2226/4885NPC1 1419/4885RAB9A 4264/4885
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 SLC18A3 222/4885NPC1 533/4885RAB9A 2298/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SLC18A3 2226/4885NPC1 1419/4885RAB9A 4264/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 SLC18A3 222/4885NPC1 533/4885RAB9A 2298/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A SLC18A3 214/4885NPC1 2288/4885RAB9A 1139/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SLC18A3 2226/4885NPC1 1419/4885RAB9A 4264/4885

“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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