SCHEMBL4175744

SCHEMBL4175744

O=C(NC1CC1)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
SMYD3 Q9H7B4 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 1/20 0.49

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
Hydrochloric Acid SCHEMBL9409383 0.90 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8063111 0.90 NAMPT (0.50) RAB9ANPC1SMN1; SMN2KMT2AHDAC1
Hydrochloric Acid SCHEMBL9409437 0.87 DGAT1 (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9409621 0.87 P2RY14 (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9409598 0.86 DGAT1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9409460 0.85 DGAT1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9409405 0.85 DGAT1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9409596 0.84 MEN1 (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9409513 0.84 MAPT (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9415854 0.83 ALDH1A1 (0.46) HDAC1HDAC8HDAC6HDAC3HDAC4

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-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 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 (1 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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN RAB9A 3554/4885NPC1 233/4885SMN1; SMN2 2999/4885

“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.