SCHEMBL18453732

SCHEMBL18453732

Cn1c(SCCCCl)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ ATM Q13315 1/20 0.58
▸ MAPT P10636 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ AR P10275 1/20 0.56
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ PDE10A Q9Y233 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL7862574 0.83 POLB (0.66) POLBATMMAPTNPC1RAB9A
SCHEMBL20892555 0.82 POLB (0.53) POLBATMMAPTNPC1RAB9A
SCHEMBL6603943 0.81 AR (0.53) POLBATMMAPTNPC1RAB9A
SCHEMBL12500188 0.79 POLB (0.69) POLBATMMAPTNPC1RAB9A
SCHEMBL16373711 0.79 POLB (0.60) POLBATMMAPTNPC1RAB9A
SCHEMBL20545506 0.78 PTGDR2 (0.58) POLBMAPTNPC1RAB9AAR
SCHEMBL20545517 0.78 ALDH1A1 (0.54) POLBMAPTALDH1A1LMNAPTGDR2
SCHEMBL17788508 0.75 POLB (0.56) POLBATMMAPTNPC1RAB9A
SCHEMBL12195240 0.75 AR (0.69) POLBMAPTRAB9AARSMN1; SMN2
SCHEMBL19403478 0.75 POLB (0.72) POLBATMMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 — — EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 — — EP disclosed
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 — — US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 — — US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 — — US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 — — US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 — — US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 — — US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 — — US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 — — US disclosed
EP-3331886-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY Indivior UK Limited (GB) 2018-06-13 — — EP disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 — — WO disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 — — 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 (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-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 POLB 3979/4885ATM 2550/4885MAPT 2092/4885
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 POLB 3975/4885ATM 2424/4885MAPT 2228/4885
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators DRD3, DRD2, OPRD1 POLB 3687/4885ATM 3760/4885MAPT 2399/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 POLB 4199/4885ATM 3240/4885MAPT 2901/4885

“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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