SCHEMBL21820172

SCHEMBL21820172

O=C(NCCc1c[nH]cn1)NCCc1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
EPHX1 P07099 2/20 0.36
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
MTNR1A P48039 3/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL7631284 0.90 MTNR1A (0.40) CNR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17473831 0.89 MMP9 (0.35) TAS1R3TAS1R1QPCTQPCTLMTNR1A
SCHEMBL13734799 0.87 MAPT (0.33) QPCTQPCTLMTNR1AALDH1A1L3MBTL1
SCHEMBL17473828 0.87 ST14 (0.36) QPCTQPCTLALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13934754 0.87 EPHX1 (0.53) EPHX1ALDH1A1EPHX2
SCHEMBL5508626 0.86 NOTUM (0.38) QPCTQPCTLMTNR1AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL31530513 0.86 LMNA (0.37) QPCTQPCTLALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17473827 0.86 CYP3A4 (0.41) L3MBTL1TSHRMEN1KMT2A
Iodide SCHEMBL31530538 0.86 ST14 (0.35) QPCTQPCTLALDH1A1L3MBTL1SMN1; SMN2
Iodide SCHEMBL31530522 0.86 ST14 (0.35) QPCTQPCTLALDH1A1L3MBTL1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116898-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES LTD "VALENTA-INTELLEKT" (RU) 2024-04-11 US disclosed
EP-4335509-A2 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES LTD "VALENTA-INTELLEKT" (RU) 2024-03-13 EP disclosed
US-11845740-B2 Glutaminyl cyclase inhibitors and the use thereof in treatment of various diseases LTD “Valenta-Intellekt” (RU) 2023-12-19 US disclosed
EP-3632433-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES Obschestvo S Ogranichennoi Otvetstvennostiyu "Pharmenterprises" (RU) 2020-04-08 EP disclosed
US-20200087285-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2020-03-19 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-20240116898-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES GLS, GLS2, QPCT CNR1 491/4885EPHX1 1505/4885HTR3E 3920/4885
US-20200087285-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES GLS, GLS2, QPCT CNR1 598/4885EPHX1 1465/4885HTR3E 3915/4885
US-11845740-B2 Glutaminyl cyclase inhibitors and the use thereof in treatment of various diseases GLS, GLS2, QPCT CNR1 659/4885EPHX1 1761/4885HTR3E 3946/4885

“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.