SCHEMBL17777313

SCHEMBL17777313

N=C(NCCc1ccc(Cl)cc1)NC(=N)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.50
▸ CYP2D6 P10635 2/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL14703383 1.00 MCHR1 (0.50) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL19393790 0.86 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14703253 0.86 TSHR (0.50) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14703673 0.86 ALDH1A1 (0.47) MCHR1CHRM1HTR2ANPC1RAB9A
SCHEMBL14703140 0.86 ALDH1A1 (0.47) MCHR1CHRM1HTR2ANPC1RAB9A
SCHEMBL14703148 0.86 NPC1 (0.61) CYP2D6NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14703378 0.86 NPC1 (0.61) CYP2D6NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL17668288 0.85 NPC1 (0.59) CYP2D6NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL17668293 0.85 NPC1 (0.59) CYP2D6NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16692416 0.85 MCHR1 (0.48) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 — — US disclosed
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 — — US disclosed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 — — US disclosed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 — — US disclosed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 — — US disclosed
WO-2016080810-A2 BIGUANIDE COMPOUND AND USE THEREOF 이뮤노메트테라퓨틱스 인코포레이티드 2016-05-26 — — 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-10626085-B2 Biguanide compound and use thereof MKI67, GCG, GCKR MCHR1 2520/4885CYP2D6 1077/4885CHRM1 3833/4885
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR MCHR1 2520/4885CYP2D6 1077/4885CHRM1 3833/4885
US-11572341-B2 Biguanide compound and use thereof MKI67, GCG, GCKR MCHR1 2520/4885CYP2D6 1077/4885CHRM1 3833/4885
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR MCHR1 2520/4885CYP2D6 1077/4885CHRM1 3833/4885

“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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