SCHEMBL22122372

SCHEMBL22122372

O=C(c1c[nH]c2cc(Br)ccc12)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.55
▸ HTR3B O95264 2/20 0.55
▸ HTR3A P46098 2/20 0.55
▸ HTR3D Q70Z44 2/20 0.55
▸ HTR3C Q8WXA8 2/20 0.55
▸ CYP2A6 P11509 1/20 0.44
▸ NR4A2 P43354 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38

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
SCHEMBL28287768 0.84 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22128219 0.83 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28644348 0.83 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25742625 0.81 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29176342 0.80 KMT2A (0.55) NR4A2MAPTALDH1A1RAB9ANPC1
SCHEMBL2078783 0.79 HTR3E (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29176340 0.79 ALDH1A1 (0.54) MAPTALDH1A1RAB9ANPC1
SCHEMBL2075477 0.78 NR4A2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30914308 0.78 CYP2A6 (0.54) CYP2A6NR4A2ADRA1AADRA1BALDH1A1
SCHEMBL497998 0.78 CYP2A6 (0.54) CYP2A6NR4A2ADRA1AADRA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — 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 (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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS HTR3E 3699/4885HTR3B 3983/4885HTR3A 4478/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS HTR3E 3699/4885HTR3B 3983/4885HTR3A 4478/4885

“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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